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Useful Chemistry Molecules



Molecules pertinent to the Useful Chemistry project.



Published: 2007-07-27T17:31:07-5.00

 



UC0252

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C3NCC(=O)N(Cc1ccco1)C3c2ccccc2
InChI:  InChI=1/C15H14N2O3/c18-13-9-16-15(19)14(11-5-2-1-3-6-11)17(13)10-12-7-4-8-20-12/h1-8,14H,9-10H2,(H,16,19)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC3NCC%28%3DO%29N%28Cc1ccco1%29C3c2ccccc2
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC3NCC%28%3DO%29N%28Cc1ccco1%29C3c2ccccc2
Canonical MW:  272.299
NaturalMW:  272.30432

Suppliers:




UC0251

2007-07-27T17:31:07-5.00

(image)

SMILES:  FC(F)(F)C(O2)=CC=C2CN(C(CNC(OC(C)(C)C)=O)=O)C(C(NCC3=CC=CC=C3)=O)C1=CC=CC=C1
InChI:  InChI=1/C28H30F3N3O5/c1-27(2,3)39-26(37)33-17-23(35)34(18-21-14-15-22(38-21)28(29,30)31)24(20-12-8-5-9-13-20)25(36)32-16-19-10-6-4-7-11-19/h4-15,24H,16-18H2,1-3H3,(H,32,36)(H,33,37)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=FC%28F%29%28F%29C%28O2%29%3DCC%3DC2CN%28C%28CNC%28OC%28C%29%28C%29C%29%3DO%29%3DO%29C%28C%28NCC3%3DCC%3DCC%3DC3%29%3DO%29C1%3DCC%3DCC%3DC1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=FC%28F%29%28F%29C%28O2%29%3DCC%3DC2CN%28C%28CNC%28OC%28C%29%28C%29C%29%3DO%29%3DO%29C%28C%28NCC3%3DCC%3DCC%3DC3%29%3DO%29C1%3DCC%3DCC%3DC1
Canonical MW:  545.55005
NaturalMW:  545.5609

Suppliers:




UC0250

2007-07-27T17:31:07-5.00

(image)

SMILES:  FC(F)(F)C1=CC=C(CN)O1
InChI:  InChI=1/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=FC%28F%29%28F%29C1%3DCC%3DC%28CN%29O1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=FC%28F%29%28F%29C1%3DCC%3DC%28CN%29O1
Canonical MW:  165.11311
NaturalMW:  165.11536

Suppliers:




UC0249

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NCc3ccccc3
InChI:  InChI=1/C27H31N3O5/c1-27(2,3)35-26(33)29-18-23(31)30(19-22-15-10-16-34-22)24(21-13-8-5-9-14-21)25(32)28-17-20-11-6-4-7-12-20/h4-16,24H,17-19H2,1-3H3,(H,28,32)(H,29,33)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28CNC%28%3DO%29OC%28C%29%28C%29C%29N%28Cc1ccco1%29C%28c2ccccc2%29C%28%3DO%29NCc3ccccc3
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28CNC%28%3DO%29OC%28C%29%28C%29C%29N%28Cc1ccco1%29C%28c2ccccc2%29C%28%3DO%29NCc3ccccc3
Canonical MW:  489.6473
NaturalMW:  489.6573

Suppliers:




UC0248

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)c1ccc(CN)o1
InChI:  InChI=1/C9H15NO/c1-9(2,3)8-5-4-7(6-10)11-8/h4-5H,6,10H2,1-3H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29c1ccc%28CN%29o1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29c1ccc%28CN%29o1
Canonical MW:  153.2214
NaturalMW:  153.22507

Suppliers:




UC0247

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(C)NCc1ccco1
InChI:  InChI=1/C7H9NO2/c1-6(9)8-5-7-3-2-4-10-7/h2-4H,5H2,1H3,(H,8,9)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28C%29NCc1ccco1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28C%29NCc1ccco1
Canonical MW:  139.1518
NaturalMW:  139.15442

Suppliers:




UC0246

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(CN)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C
InChI:  InChI=1/C19H25N3O3/c1-19(2,3)21-18(24)17(14-8-5-4-6-9-14)22(16(23)12-20)13-15-10-7-11-25-15/h4-11,17H,12-13,20H2,1-3H3,(H,21,24)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28CN%29N%28Cc1ccco1%29C%28c2ccccc2%29C%28%3DO%29NC%28C%29%28C%29C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28CN%29N%28Cc1ccco1%29C%28c2ccccc2%29C%28%3DO%29NC%28C%29%28C%29C
Canonical MW:  349.4676
NaturalMW:  349.4747

Suppliers:




UC0245

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)NC(=O)C(NC(=O)CN)c1ccccc1
InChI:  InChI=1/C14H21N3O2/c1-14(2,3)17-13(19)12(16-11(18)9-15)10-7-5-4-6-8-10/h4-8,12H,9,15H2,1-3H3,(H,16,18)(H,17,19)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29NC%28%3DO%29C%28NC%28%3DO%29CN%29c1ccccc1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29NC%28%3DO%29C%28NC%28%3DO%29CN%29c1ccccc1
Canonical MW:  263.3353
NaturalMW:  263.34073

Suppliers:




UC0244

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(N(C(CNC(OC(C)(C)C)=O)=O)C(C(NC(C)(C)C)=O)C1=CC=CC=C1)(C)C
InChI:  InChI=1/C23H37N3O4/c1-21(2,3)25-19(28)18(16-13-11-10-12-14-16)26(22(4,5)6)17(27)15-24-20(29)30-23(7,8)9/h10-14,18H,15H2,1-9H3,(H,24,29)(H,25,28)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28N%28C%28CNC%28OC%28C%29%28C%29C%29%3DO%29%3DO%29C%28C%28NC%28C%29%28C%29C%29%3DO%29C1%3DCC%3DCC%3DC1%29%28C%29C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28N%28C%28CNC%28OC%28C%29%28C%29C%29%3DO%29%3DO%29C%28C%28NC%28C%29%28C%29C%29%3DO%29C1%3DCC%3DCC%3DC1%29%28C%29C
Canonical MW:  419.55746
NaturalMW:  419.566

Suppliers:




UC0243

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(CNC(OC(C)(C)C)=O)N(CC1=CC=CO1)C(C2=CC=CC=C2)C(NC(C)(C)C)=O
InChI:  InChI=1/C24H33N3O5/c1-23(2,3)26-21(29)20(17-11-8-7-9-12-17)27(16-18-13-10-14-31-18)19(28)15-25-22(30)32-24(4,5)6/h7-14,20H,15-16H2,1-6H3,(H,25,30)(H,26,29)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28CNC%28OC%28C%29%28C%29C%29%3DO%29N%28CC1%3DCC%3DCO1%29C%28C2%3DCC%3DCC%3DC2%29C%28NC%28C%29%28C%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28CNC%28OC%28C%29%28C%29C%29%3DO%29N%28CC1%3DCC%3DCO1%29C%28C2%3DCC%3DCC%3DC2%29C%28NC%28C%29%28C%29C%29%3DO
Canonical MW:  443.53583
NaturalMW:  443.5445

Suppliers:




UC0242

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(CN)NC(C(NC(C)(C)C)=O)C1=CC(OCO2)=C2C=C1
InChI:  InChI=1/C15H21N3O4/c1-15(2,3)18-14(20)13(17-12(19)7-16)9-4-5-10-11(6-9)22-8-21-10/h4-6,13H,7-8,16H2,1-3H3,(H,17,19)(H,18,20)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28CN%29NC%28C%28NC%28C%29%28C%29C%29%3DO%29C1%3DCC%28OCO2%29%3DC2C%3DC1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28CN%29NC%28C%28NC%28C%29%28C%29C%29%3DO%29C1%3DCC%28OCO2%29%3DC2C%3DC1
Canonical MW:  307.34482
NaturalMW:  307.3502

Suppliers:




UC0241

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccc(OC)c(OC)c2)C(=O)NC(C)(C)C
InChI:  InChI=1/C26H37N3O7/c1-25(2,3)28-23(31)22(17-11-12-19(33-7)20(14-17)34-8)29(16-18-10-9-13-35-18)21(30)15-27-24(32)36-26(4,5)6/h9-14,22H,15-16H2,1-8H3,(H,27,32)(H,28,31)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28CNC%28%3DO%29OC%28C%29%28C%29C%29N%28Cc1ccco1%29C%28c2ccc%28OC%29c%28OC%29c2%29C%28%3DO%29NC%28C%29%28C%29C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28CNC%28%3DO%29OC%28C%29%28C%29C%29N%28Cc1ccco1%29C%28c2ccc%28OC%29c%28OC%29c2%29C%28%3DO%29NC%28C%29%28C%29C
Canonical MW:  509.63538
NaturalMW:  509.64484

Suppliers:




UC0240

2007-07-27T17:31:07-5.00

(image)

SMILES:  NCc1ccco1
InChI:  InChI=1/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=NCc1ccco1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=NCc1ccco1
Canonical MW:  97.11519
NaturalMW:  97.11702

Suppliers:




UC0239

2007-07-27T17:31:07-5.00

(image)

SMILES:  N(=C=N\C1CCCCC1)\C2CCCCC2
InChI:  InChI=1/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=N%28%3DC%3DN%5CC1CCCCC1%29%5CC2CCCCC2
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=N%28%3DC%3DN%5CC1CCCCC1%29%5CC2CCCCC2
Canonical MW:  206.32703
NaturalMW:  206.33249

Suppliers:




UC0238

2007-07-27T17:31:07-5.00

(image)

SMILES:  CN(C)c1ccncc1
InChI:  InChI=1/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CN%28C%29c1ccncc1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CN%28C%29c1ccncc1
Canonical MW:  122.16771
NaturalMW:  122.17043

Suppliers:




UC0237

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(NCC1=CC=C(C)O1)CNC(OC(C)(C)C)=O
InChI:  InChI=1/C13H20N2O4/c1-9-5-6-10(18-9)7-14-11(16)8-15-12(17)19-13(2,3)4/h5-6H,7-8H2,1-4H3,(H,14,16)(H,15,17)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28NCC1%3DCC%3DC%28C%29O1%29CNC%28OC%28C%29%28C%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28NCC1%3DCC%3DC%28C%29O1%29CNC%28OC%28C%29%28C%29C%29%3DO
Canonical MW:  268.30878
NaturalMW:  268.31354

Suppliers:




UC0236

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(CN)N(Cc1ccc(C)o1)C(c2ccccc2)C(=O)NC(C)(C)C
InChI:  InChI=1/C20H27N3O3/c1-14-10-11-16(26-14)13-23(17(24)12-21)18(15-8-6-5-7-9-15)19(25)22-20(2,3)4/h5-11,18H,12-13,21H2,1-4H3,(H,22,25)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28CN%29N%28Cc1ccc%28C%29o1%29C%28c2ccccc2%29C%28%3DO%29NC%28C%29%28C%29C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28CN%29N%28Cc1ccc%28C%29o1%29C%28c2ccccc2%29C%28%3DO%29NC%28C%29%28C%29C
Canonical MW:  363.49414
NaturalMW:  363.50165

Suppliers:




UC0235

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(C)o1)C(c2ccccc2)C(=O)NC(C)(C)C
InChI:  InChI=1/C25H35N3O5/c1-17-13-14-19(32-17)16-28(20(29)15-26-23(31)33-25(5,6)7)21(18-11-9-8-10-12-18)22(30)27-24(2,3)4/h8-14,21H,15-16H2,1-7H3,(H,26,31)(H,27,30)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28CNC%28%3DO%29OC%28C%29%28C%29C%29N%28Cc1ccc%28C%29o1%29C%28c2ccccc2%29C%28%3DO%29NC%28C%29%28C%29C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28CNC%28%3DO%29OC%28C%29%28C%29C%29N%28Cc1ccc%28C%29o1%29C%28c2ccccc2%29C%28%3DO%29NC%28C%29%28C%29C
Canonical MW:  463.61002
NaturalMW:  463.61926

Suppliers:




UC0234

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc2cccc1Cc3cccc(O)c3C(=O)c12
InChI:  InChI=1/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc2cccc1Cc3cccc%28O%29c3C%28%3DO%29c12
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc2cccc1Cc3cccc%28O%29c3C%28%3DO%29c12
Canonical MW:  226.22733
NaturalMW:  226.23221

Suppliers:




UC0233

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(/C=C(\C#N)C(O)=O)cc1
InChI:  InChI=1/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5-
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28%2FC%3DC%28%5CC%23N%29C%28O%29%3DO%29cc1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28%2FC%3DC%28%5CC%23N%29C%28O%29%3DO%29cc1
Canonical MW:  189.16742
NaturalMW:  189.17085

Suppliers:




UC0232

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(O)c1cc(O)ccc1O
InChI:  InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28O%29c1cc%28O%29ccc1O
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28O%29c1cc%28O%29ccc1O
Canonical MW:  154.1201
NaturalMW:  154.12236

Suppliers:




UC0231

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=Cc1ccccc1
InChI:  InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DCc1ccccc1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DCc1ccccc1
Canonical MW:  106.12194
NaturalMW:  106.124405

Suppliers:




UC0230

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CN
InChI:  InChI=1/C21H27N3O5/c1-13-5-7-15(29-13)11-24(18(25)10-22)19(20(26)23-21(2,3)4)14-6-8-16-17(9-14)28-12-27-16/h5-9,19H,10-12,22H2,1-4H3,(H,23,26)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29NC%28%3DO%29C%28c1ccc2OCOc2c1%29N%28Cc3ccc%28C%29o3%29C%28%3DO%29CN
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29NC%28%3DO%29C%28c1ccc2OCOc2c1%29N%28Cc3ccc%28C%29o3%29C%28%3DO%29CN
Canonical MW:  401.4561
NaturalMW:  401.46353

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UC0229

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(C)NCc1oc(C)cc1
InChI:  InChI=1/C8H11NO2/c1-6-3-4-8(11-6)5-9-7(2)10/h3-4H,5H2,1-2H3,(H,9,10)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28C%29NCc1oc%28C%29cc1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28C%29NCc1oc%28C%29cc1
Canonical MW:  157.2101
NaturalMW:  157.21333

Suppliers:




UC0228

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C1=CC=CC=C1)=O
InChI:  InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C1%3DCC%3DCC%3DC1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C1%3DCC%3DCC%3DC1%29%3DO
Canonical MW:  120.14853
NaturalMW:  120.15139

Suppliers:




UC0227

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(C)o1)C(c2ccc(OC)c(OC)c2)C(=O)NCc3ccccc3
InChI:  InChI=1/C30H37N3O7/c1-20-12-14-23(39-20)19-33(26(34)18-32-29(36)40-30(2,3)4)27(22-13-15-24(37-5)25(16-22)38-6)28(35)31-17-21-10-8-7-9-11-21/h7-16,27H,17-19H2,1-6H3,(H,31,35)(H,32,36)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28CNC%28%3DO%29OC%28C%29%28C%29C%29N%28Cc1ccc%28C%29o1%29C%28c2ccc%28OC%29c%28OC%29c2%29C%28%3DO%29NCc3ccccc3
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28CNC%28%3DO%29OC%28C%29%28C%29C%29N%28Cc1ccc%28C%29o1%29C%28c2ccc%28OC%29c%28OC%29c2%29C%28%3DO%29NCc3ccccc3
Canonical MW:  563.7258
NaturalMW:  563.7383

Suppliers:




UC0226

2007-07-27T17:31:07-5.00

(image)

SMILES:  [H]/C(C2=CC(OC)=C(OC)C=C2)=N/CC1=CC=C(C)O1
InChI:  InChI=1/C15H17NO3/c1-11-4-6-13(19-11)10-16-9-12-5-7-14(17-2)15(8-12)18-3/h4-9H,10H2,1-3H3/b16-9+
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=%5BH%5D%2FC%28C2%3DCC%28OC%29%3DC%28OC%29C%3DC2%29%3DN%2FCC1%3DCC%3DC%28C%29O1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=%5BH%5D%2FC%28C2%3DCC%28OC%29%3DC%28OC%29C%3DC2%29%3DN%2FCC1%3DCC%3DC%28C%29O1
Canonical MW:  259.30026
NaturalMW:  259.30576

Suppliers:




UC0225

2007-07-27T17:31:07-5.00

(image)

SMILES:  Cc1ccc(o1)CN4C(=O)CNC(=O)C4c2ccc3OCOc3c2
InChI:  InChI=1/C17H16N2O5/c1-10-2-4-12(24-10)8-19-15(20)7-18-17(21)16(19)11-3-5-13-14(6-11)23-9-22-13/h2-6,16H,7-9H2,1H3,(H,18,21)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Cc1ccc%28o1%29CN4C%28%3DO%29CNC%28%3DO%29C4c2ccc3OCOc3c2
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Cc1ccc%28o1%29CN4C%28%3DO%29CNC%28%3DO%29C4c2ccc3OCOc3c2
Canonical MW:  334.36685
NaturalMW:  334.37283

Suppliers:




UC0224

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C
InChI:  InChI=1/C26H35N3O7/c1-16-8-10-18(35-16)14-29(21(30)13-27-24(32)36-26(5,6)7)22(23(31)28-25(2,3)4)17-9-11-19-20(12-17)34-15-33-19/h8-12,22H,13-15H2,1-7H3,(H,27,32)(H,28,31)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29NC%28%3DO%29C%28c1ccc2OCOc2c1%29N%28Cc3ccc%28C%29o3%29C%28%3DO%29CNC%28%3DO%29OC%28C%29%28C%29C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29NC%28%3DO%29C%28c1ccc2OCOc2c1%29N%28Cc3ccc%28C%29o3%29C%28%3DO%29CNC%28%3DO%29OC%28C%29%28C%29C
Canonical MW:  501.5719
NaturalMW:  501.5811

Suppliers:




UC0223

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)[N+]#[C-]
InChI:  InChI=1/C5H9N/c1-5(2,3)6-4/h1-3H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29%5BN%2B%5D%23%5BC%2D%5D
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29%5BN%2B%5D%23%5BC%2D%5D
Canonical MW:  83.131676
NaturalMW:  83.13366

Suppliers:




UC0222

2007-07-27T17:31:07-5.00

(image)

SMILES:  Cc1ccc(o1)C\N=C\c2ccc3OCOc3c2
InChI:  InChI=1/C14H13NO3/c1-10-2-4-12(18-10)8-15-7-11-3-5-13-14(6-11)17-9-16-13/h2-7H,8-9H2,1H3/b15-7-
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Cc1ccc%28o1%29C%5CN%3DC%5Cc2ccc3OCOc3c2
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Cc1ccc%28o1%29C%5CN%3DC%5Cc2ccc3OCOc3c2
Canonical MW:  249.30544
NaturalMW:  249.31075

Suppliers:




UC0221

2007-07-27T17:31:07-5.00

(image)

SMILES:  [H]C(C1=CC(OC)=C(OC)C=C1)=O
InChI:  InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=%5BH%5DC%28C1%3DCC%28OC%29%3DC%28OC%29C%3DC1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=%5BH%5DC%28C1%3DCC%28OC%29%3DC%28OC%29C%3DC1%29%3DO
Canonical MW:  166.17384
NaturalMW:  166.17703

Suppliers:




UC0220

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC1=CC=C(C/N=C([H])/C2=CC(OC)=C(OC)C=C2)O1
InChI:  InChI=1/C15H17NO3/c1-11-4-6-13(19-11)10-16-9-12-5-7-14(17-2)15(8-12)18-3/h4-9H,10H2,1-3H3/b16-9-
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC1%3DCC%3DC%28C%2FN%3DC%28%5BH%5D%29%2FC2%3DCC%28OC%29%3DC%28OC%29C%3DC2%29O1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC1%3DCC%3DC%28C%2FN%3DC%28%5BH%5D%29%2FC2%3DCC%28OC%29%3DC%28OC%29C%3DC2%29O1
Canonical MW:  259.3003
NaturalMW:  259.30576

Suppliers:




UC0219

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](c2cc(OC)ccc2OC)CC([N](c2ccccc2)[CH]1c1ccc(cc1)C)=O)=O
InChI:  InChI=1/C25H24N2O4/c1-17-9-11-18(12-10-17)24-25(29)26(21-15-20(30-2)13-14-22(21)31-3)16-23(28)27(24)19-7-5-4-6-8-19/h4-15,24H,16H2,1-3H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28c2cc%28OC%29ccc2OC%29CC%28%5BN%5D%28c2ccccc2%29%5BCH%5D1c1ccc%28cc1%29C%29%3DO%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28c2cc%28OC%29ccc2OC%29CC%28%5BN%5D%28c2ccccc2%29%5BCH%5D1c1ccc%28cc1%29C%29%3DO%29%3DO
Canonical MW:  416.46896
NaturalMW:  416.47778

Suppliers:




UC0218

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2cc(C)cc(c2)C)[CH]1c1ccc(cc1)OC)=O)c1c(OC)cccc1)=O
InChI:  InChI=1/C26H26N2O4/c1-17-13-18(2)15-20(14-17)28-24(29)16-27(22-7-5-6-8-23(22)32-4)26(30)25(28)19-9-11-21(31-3)12-10-19/h5-15,25H,16H2,1-4H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2cc%28C%29cc%28c2%29C%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28OC%29cccc1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2cc%28C%29cc%28c2%29C%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28OC%29cccc1%29%3DO
Canonical MW:  430.4955
NaturalMW:  430.50476

Suppliers:




UC0217

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](c2cc(OC)ccc2OC)CC([N](c2cc(C)cc(c2)C)[CH]1c1ccccc1)=O)=O
InChI:  InChI=1/C26H26N2O4/c1-17-12-18(2)14-20(13-17)28-24(29)16-27(22-15-21(31-3)10-11-23(22)32-4)26(30)25(28)19-8-6-5-7-9-19/h5-15,25H,16H2,1-4H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28c2cc%28OC%29ccc2OC%29CC%28%5BN%5D%28c2cc%28C%29cc%28c2%29C%29%5BCH%5D1c1ccccc1%29%3DO%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28c2cc%28OC%29ccc2OC%29CC%28%5BN%5D%28c2cc%28C%29cc%28c2%29C%29%5BCH%5D1c1ccccc1%29%3DO%29%3DO
Canonical MW:  430.49554
NaturalMW:  430.50476

Suppliers:




UC0216

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)OC)[CH]1c1ccc(cc1)[CH](C)C)=O)c1c(OC)cccc1)=O
InChI:  InChI=1/C27H28N2O4/c1-18(2)19-9-11-20(12-10-19)26-27(31)28(23-7-5-6-8-24(23)33-4)17-25(30)29(26)21-13-15-22(32-3)16-14-21/h5-16,18,26H,17H2,1-4H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccc%28cc1%29%5BCH%5D%28C%29C%29%3DO%29c1c%28OC%29cccc1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccc%28cc1%29%5BCH%5D%28C%29C%29%3DO%29c1c%28OC%29cccc1%29%3DO
Canonical MW:  444.5221
NaturalMW:  444.53174

Suppliers:




UC0215

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N]([CH]1c1oc(C)cc1)c1c(cc(cc1)C)C)=O)c1c(c(C)ccc1)C)=O
InChI:  InChI=1/C25H26N2O3/c1-15-9-11-20(17(3)13-15)27-23(28)14-26(21-8-6-7-16(2)19(21)5)25(29)24(27)22-12-10-18(4)30-22/h6-13,24H,14H2,1-5H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28%5BCH%5D1c1oc%28C%29cc1%29c1c%28cc%28cc1%29C%29C%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28%5BCH%5D1c1oc%28C%29cc1%29c1c%28cc%28cc1%29C%29C%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Canonical MW:  416.59653
NaturalMW:  416.60593

Suppliers:




UC0214

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([CH]([N](C(C[N]1c1c(c(C)ccc1)C)=O)c1c(OC)cccc1)c1occc1)=O
InChI:  InChI=1/C23H22N2O4/c1-15-8-6-10-17(16(15)2)24-14-21(26)25(18-9-4-5-11-19(18)28-3)22(23(24)27)20-12-7-13-29-20/h4-13,22H,14H2,1-3H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BCH%5D%28%5BN%5D%28C%28C%5BN%5D1c1c%28c%28C%29ccc1%29C%29%3DO%29c1c%28OC%29cccc1%29c1occc1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BCH%5D%28%5BN%5D%28C%28C%5BN%5D1c1c%28c%28C%29ccc1%29C%29%3DO%29c1c%28OC%29cccc1%29c1occc1%29%3DO
Canonical MW:  394.4634
NaturalMW:  394.47162

Suppliers:




UC0213

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)Cl)[CH]1c1ccc(cc1)OC)=O)c1c(F)cccc1)=O
InChI:  InChI=1/C23H18ClFN2O3/c1-30-18-12-6-15(7-13-18)22-23(29)26(20-5-3-2-4-19(20)25)14-21(28)27(22)17-10-8-16(24)9-11-17/h2-13,22H,14H2,1H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29Cl%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28F%29cccc1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29Cl%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28F%29cccc1%29%3DO
Canonical MW:  424.85196
NaturalMW:  424.85977

Suppliers:




UC0212

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)Br)[CH]1c1ccc(cc1)OC)=O)c1c(OC)cccc1)=O
InChI:  InChI=1/C24H21BrN2O4/c1-30-19-13-7-16(8-14-19)23-24(29)26(20-5-3-4-6-21(20)31-2)15-22(28)27(23)18-11-9-17(25)10-12-18/h3-14,23H,15H2,1-2H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29Br%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28OC%29cccc1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29Br%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28OC%29cccc1%29%3DO
Canonical MW:  481.3385
NaturalMW:  481.34644

Suppliers:




UC0211

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)OCC)[CH]1c1ccc(cc1)C)=O)c1c(c(C)ccc1)C)=O
InChI:  InChI=1/C27H28N2O3/c1-5-32-23-15-13-22(14-16-23)29-25(30)17-28(24-8-6-7-19(3)20(24)4)27(31)26(29)21-11-9-18(2)10-12-21/h6-16,26H,5,17H2,1-4H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OCC%29%5BCH%5D1c1ccc%28cc1%29C%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OCC%29%5BCH%5D1c1ccc%28cc1%29C%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Canonical MW:  428.5227
NaturalMW:  428.53244

Suppliers:




UC0210

2007-07-27T17:31:07-5.00

(image)

SMILES:  COc1ccc(cc1)C3C(=O)N(CC(=O)N3c2ccc(Cl)cc2)c4cccc(C)c4C
InChI:  InChI=1/C25H23ClN2O3/c1-16-5-4-6-22(17(16)2)27-15-23(29)28(20-11-9-19(26)10-12-20)24(25(27)30)18-7-13-21(31-3)14-8-18/h4-14,24H,15H2,1-3H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=COc1ccc%28cc1%29C3C%28%3DO%29N%28CC%28%3DO%29N3c2ccc%28Cl%29cc2%29c4cccc%28C%29c4C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=COc1ccc%28cc1%29C3C%28%3DO%29N%28CC%28%3DO%29N3c2ccc%28Cl%29cc2%29c4cccc%28C%29c4C
Canonical MW:  434.91467
NaturalMW:  434.9233

Suppliers:




UC0209

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)OCC)[CH]1c1cscc1)=O)c1c(c(C)ccc1)C)=O
InChI:  InChI=1/C24H24N2O3S/c1-4-29-20-10-8-19(9-11-20)26-22(27)14-25(21-7-5-6-16(2)17(21)3)24(28)23(26)18-12-13-30-15-18/h5-13,15,23H,4,14H2,1-3H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OCC%29%5BCH%5D1c1cscc1%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OCC%29%5BCH%5D1c1cscc1%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Canonical MW:  424.55563
NaturalMW:  424.56375

Suppliers:




UC0208

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](c2cc(OC)ccc2OC)CC([N](c2ccccc2)[CH]1c1ccccc1)=O)=O
InChI:  InChI=1/C24H22N2O4/c1-29-19-13-14-21(30-2)20(15-19)25-16-22(27)26(18-11-7-4-8-12-18)23(24(25)28)17-9-5-3-6-10-17/h3-15,23H,16H2,1-2H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28c2cc%28OC%29ccc2OC%29CC%28%5BN%5D%28c2ccccc2%29%5BCH%5D1c1ccccc1%29%3DO%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28c2cc%28OC%29ccc2OC%29CC%28%5BN%5D%28c2ccccc2%29%5BCH%5D1c1ccccc1%29%3DO%29%3DO
Canonical MW:  402.44238
NaturalMW:  402.4508

Suppliers:




UC0207

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)OC)[CH]1c1ccc(cc1)C)=O)c1c(c(C)ccc1)C)=O
InChI:  InChI=1/C26H26N2O3/c1-17-8-10-20(11-9-17)25-26(30)27(23-7-5-6-18(2)19(23)3)16-24(29)28(25)21-12-14-22(31-4)15-13-21/h5-15,25H,16H2,1-4H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccc%28cc1%29C%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccc%28cc1%29C%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Canonical MW:  414.49612
NaturalMW:  414.50546

Suppliers:




UC0206

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)OC)[CH]1c1cscc1)=O)c1c(c(C)ccc1)C)=O
InChI:  InChI=1/C23H22N2O3S/c1-15-5-4-6-20(16(15)2)24-13-21(26)25(18-7-9-19(28-3)10-8-18)22(23(24)27)17-11-12-29-14-17/h4-12,14,22H,13H2,1-3H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1cscc1%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1cscc1%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Canonical MW:  410.52905
NaturalMW:  410.53677

Suppliers:




UC0205

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)C)[CH]1c1ccc(cc1)OC)=O)c1c(c(C)ccc1)C)=O
InChI:  InChI=1/C26H26N2O3/c1-17-8-12-21(13-9-17)28-24(29)16-27(23-7-5-6-18(2)19(23)3)26(30)25(28)20-10-14-22(31-4)15-11-20/h5-15,25H,16H2,1-4H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29C%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29C%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Canonical MW:  414.49612
NaturalMW:  414.50546

Suppliers:




UC0204

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccccc2)[CH]1c1ccc(cc1)OC)=O)c1c(OC)cccc1)=O
InChI:  InChI=1/C24H22N2O4/c1-29-19-14-12-17(13-15-19)23-24(28)25(20-10-6-7-11-21(20)30-2)16-22(27)26(23)18-8-4-3-5-9-18/h3-15,23H,16H2,1-2H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccccc2%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28OC%29cccc1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccccc2%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28OC%29cccc1%29%3DO
Canonical MW:  402.44238
NaturalMW:  402.4508

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UC0203

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)OC)[CH]1c1ccccc1)=O)c1c(F)cccc1)=O
InChI:  InChI=1/C23H19FN2O3/c1-29-18-13-11-17(12-14-18)26-21(27)15-25(20-10-6-5-9-19(20)24)23(28)22(26)16-7-3-2-4-8-16/h2-14,22H,15H2,1H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccccc1%29%3DO%29c1c%28F%29cccc1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccccc1%29%3DO%29c1c%28F%29cccc1%29%3DO
Canonical MW:  390.4069
NaturalMW:  390.41498

Suppliers:




UC0202

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2c(OC)cccc2)[CH]1c1ccc(cc1)[N](C)C)=O)c1c(c(C)ccc1)C)=O
InChI:  InChI=1/C27H29N3O3/c1-18-9-8-11-22(19(18)2)29-17-25(31)30(23-10-6-7-12-24(23)33-5)26(27(29)32)20-13-15-21(16-14-20)28(3)4/h6-16,26H,17H2,1-5H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2c%28OC%29cccc2%29%5BCH%5D1c1ccc%28cc1%29%5BN%5D%28C%29C%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2c%28OC%29cccc2%29%5BCH%5D1c1ccc%28cc1%29%5BN%5D%28C%29C%29%3DO%29c1c%28c%28C%29ccc1%29C%29%3DO
Canonical MW:  443.53735
NaturalMW:  443.54712

Suppliers:




UC0201

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)OC)[CH]1c1ccc(cc1)OC)=O)c1c(F)cccc1)=O
InChI:  InChI=1/C24H21FN2O4/c1-30-18-11-7-16(8-12-18)23-24(29)26(21-6-4-3-5-20(21)25)15-22(28)27(23)17-9-13-19(31-2)14-10-17/h3-14,23H,15H2,1-2H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28F%29cccc1%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccc%28cc1%29OC%29%3DO%29c1c%28F%29cccc1%29%3DO
Canonical MW:  420.43286
NaturalMW:  420.44125

Suppliers:




UC0200

2007-07-27T17:31:07-5.00

(image)

SMILES:  C1([N](CC([N](c2ccc(cc2)OC)[CH]1c1ccc(cc1)[CH](C)C)=O)c1c(cccc1C)C)=O
InChI:  InChI=1/C28H30N2O3/c1-18(2)21-9-11-22(12-10-21)27-28(32)29(26-19(3)7-6-8-20(26)4)17-25(31)30(27)23-13-15-24(33-5)16-14-23/h6-16,18,27H,17H2,1-5H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccc%28cc1%29%5BCH%5D%28C%29C%29%3DO%29c1c%28cccc1C%29C%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=C1%28%5BN%5D%28CC%28%5BN%5D%28c2ccc%28cc2%29OC%29%5BCH%5D1c1ccc%28cc1%29%5BCH%5D%28C%29C%29%3DO%29c1c%28cccc1C%29C%29%3DO
Canonical MW:  442.5493
NaturalMW:  442.55942

Suppliers:




UC0199

2007-07-27T17:31:07-5.00

(image)

SMILES:  CCCC=O
InChI:  InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CCCC%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CCCC%3DO
Canonical MW:  72.105736
NaturalMW:  72.10723

Suppliers:




UC0198

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)/N=C/CC1=CC=CC=C1
InChI:  InChI=1/C12H17N/c1-12(2,3)13-10-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b13-10-
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29%2FN%3DC%2FCC1%3DCC%3DCC%3DC1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29%2FN%3DC%2FCC1%3DCC%3DCC%3DC1
Canonical MW:  175.26996
NaturalMW:  175.27483

Suppliers:




UC0197

2007-07-27T17:31:07-5.00

(image)

SMILES:  NC
InChI:  InChI=1/CH5N/c1-2/h2H2,1H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=NC
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=NC
Canonical MW:  31.0571
NaturalMW:  31.057642

Suppliers:




UC0196

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(N)C
InChI:  InChI=1/C4H11N/c1-4(2,3)5/h5H2,1-3H3
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28N%29C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28N%29C
Canonical MW:  73.136856
NaturalMW:  73.13857

Suppliers:




UC0195

2007-07-27T17:31:07-5.00

(image)

SMILES:  [H]C([H])=O
InChI:  InChI=1/CH2O/c1-2/h1H2
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=%5BH%5DC%28%5BH%5D%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=%5BH%5DC%28%5BH%5D%29%3DO
Canonical MW:  30.02598
NaturalMW:  30.026293

Suppliers:




UC0194

2007-07-27T17:31:07-5.00

(image)

SMILES:  [C-]#[N+]CCN1CCOCC1
InChI:  InChI=1/C7H12N2O/c1-8-2-3-9-4-6-10-7-5-9/h2-7H2
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=%5BC%2D%5D%23%5BN%2B%5DCCN1CCOCC1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=%5BC%2D%5D%23%5BN%2B%5DCCN1CCOCC1
Canonical MW:  140.1829
NaturalMW:  140.18578

Suppliers:




UC0193

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(O2)=CC=C2CN1C(C3=CC(OC)=C(OC)C=C3)C(NCC1=O)=O
InChI:  InChI=1/C18H20N2O5/c1-11-4-6-13(25-11)10-20-16(21)9-19-18(22)17(20)12-5-7-14(23-2)15(8-12)24-3/h4-8,17H,9-10H2,1-3H3,(H,19,22)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28O2%29%3DCC%3DC2CN1C%28C3%3DCC%28OC%29%3DC%28OC%29C%3DC3%29C%28NCC1%3DO%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28O2%29%3DCC%3DC2CN1C%28C3%3DCC%28OC%29%3DC%28OC%29C%3DC3%29C%28NCC1%3DO%29%3DO
Canonical MW:  344.36166
NaturalMW:  344.3679

Suppliers:




UC0192

2007-07-27T17:31:07-5.00

(image)

SMILES:  OC(CN)C(O)C(O)CO
InChI:  InChI=1/C5H13NO4/c6-1-3(8)5(10)4(9)2-7/h3-5,7-10H,1-2,6H2
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=OC%28CN%29C%28O%29C%28O%29CO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=OC%28CN%29C%28O%29C%28O%29CO
Canonical MW:  151.16093
NaturalMW:  151.16287

Suppliers:




UC0191

2007-07-27T17:31:07-5.00

(image)

SMILES:  OC(CN2C(CCCN)C(=O)NC(CC1CCCCC1)C2=O)C(O)C(O)CO
InChI:  InChI=1/C19H35N3O6/c20-8-4-7-14-18(27)21-13(9-12-5-2-1-3-6-12)19(28)22(14)10-15(24)17(26)16(25)11-23/h12-17,23-26H,1-11,20H2,(H,21,27)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=OC%28CN2C%28CCCN%29C%28%3DO%29NC%28CC1CCCCC1%29C2%3DO%29C%28O%29C%28O%29CO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=OC%28CN2C%28CCCN%29C%28%3DO%29NC%28CC1CCCCC1%29C2%3DO%29C%28O%29C%28O%29CO
Canonical MW:  401.49747
NaturalMW:  401.50446

Suppliers:




UC0190

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC3C(=O)NC(CCSCC)C(=O)N3Cc2nc(C)ccc2
InChI:  InChI=1/C22H27N3O4S/c1-3-30-10-9-17-22(29)25(13-16-6-4-5-14(2)23-16)18(21(28)24-17)11-15-7-8-19(26)20(27)12-15/h4-8,12,17-18,26-27H,3,9-11,13H2,1-2H3,(H,24,28)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC3C%28%3DO%29NC%28CCSCC%29C%28%3DO%29N3Cc2nc%28C%29ccc2
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC3C%28%3DO%29NC%28CCSCC%29C%28%3DO%29N3Cc2nc%28C%29ccc2
Canonical MW:  429.5324
NaturalMW:  429.53973

Suppliers:




UC0189

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC3N(Cc2nccs2)C(=O)C(CC(C)C)NC3=O
InChI:  InChI=1/C19H23N3O4S/c1-11(2)7-13-19(26)22(10-17-20-5-6-27-17)14(18(25)21-13)8-12-3-4-15(23)16(24)9-12/h3-6,9,11,13-14,23-24H,7-8,10H2,1-2H3,(H,21,25)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC3N%28Cc2nccs2%29C%28%3DO%29C%28CC%28C%29C%29NC3%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC3N%28Cc2nccs2%29C%28%3DO%29C%28CC%28C%29C%29NC3%3DO
Canonical MW:  389.46854
NaturalMW:  389.47476

Suppliers:




UC0188

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(C)CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CCCN)C2=O
InChI:  InChI=1/C17H23N3O5/c1-10(21)9-20-13(7-11-4-5-14(22)15(23)8-11)16(24)19-12(17(20)25)3-2-6-18/h4-5,8,12-13,22-23H,2-3,6-7,9,18H2,1H3,(H,19,24)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28C%29CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CCCN%29C2%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28C%29CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CCCN%29C2%3DO
Canonical MW:  349.38153
NaturalMW:  349.3875

Suppliers:




UC0187

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC3N(Cc2nccs2)C(=O)C(CCCC)NC3=O
InChI:  InChI=1/C19H23N3O4S/c1-2-3-4-13-19(26)22(11-17-20-7-8-27-17)14(18(25)21-13)9-12-5-6-15(23)16(24)10-12/h5-8,10,13-14,23-24H,2-4,9,11H2,1H3,(H,21,25)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC3N%28Cc2nccs2%29C%28%3DO%29C%28CCCC%29NC3%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC3N%28Cc2nccs2%29C%28%3DO%29C%28CCCC%29NC3%3DO
Canonical MW:  389.46854
NaturalMW:  389.47476

Suppliers:




UC0186

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)OC(=O)NC(CSC)C(O)=O
InChI:  InChI=1/C9H17NO4S/c1-9(2,3)14-8(13)10-6(5-15-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29OC%28%3DO%29NC%28CSC%29C%28O%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29OC%28%3DO%29NC%28CSC%29C%28O%29%3DO
Canonical MW:  235.30048
NaturalMW:  235.30334

Suppliers:




UC0185

2007-07-27T17:31:07-5.00

(image)

SMILES:  Cc3cc(CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CSC)C2=O)oc3C
InChI:  InChI=1/C20H24N2O5S/c1-11-6-14(27-12(11)2)9-22-16(7-13-4-5-17(23)18(24)8-13)19(25)21-15(10-28-3)20(22)26/h4-6,8,15-16,23-24H,7,9-10H2,1-3H3,(H,21,25)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Cc3cc%28CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CSC%29C2%3DO%29oc3C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Cc3cc%28CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CSC%29C2%3DO%29oc3C
Canonical MW:  406.49573
NaturalMW:  406.50223

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UC0184

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC3N(Cc2ccc(C)o2)C(=O)C(CCCCCC)NC3=O
InChI:  InChI=1/C23H30N2O5/c1-3-4-5-6-7-18-23(29)25(14-17-10-8-15(2)30-17)19(22(28)24-18)12-16-9-11-20(26)21(27)13-16/h8-11,13,18-19,26-27H,3-7,12,14H2,1-2H3,(H,24,28)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC3N%28Cc2ccc%28C%29o2%29C%28%3DO%29C%28CCCCCC%29NC3%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC3N%28Cc2ccc%28C%29o2%29C%28%3DO%29C%28CCCCCC%29NC3%3DO
Canonical MW:  414.4946
NaturalMW:  414.5028

Suppliers:




UC0183

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)OC(=O)NC(C)C(O)=O
InChI:  InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29OC%28%3DO%29NC%28C%29C%28O%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29OC%28%3DO%29NC%28C%29C%28O%29%3DO
Canonical MW:  189.20891
NaturalMW:  189.21193

Suppliers:




UC0182

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC3C(=O)NC(C)C(=O)N3Cc2nc(C)ccc2
InChI:  InChI=1/C19H21N3O4/c1-11-4-3-5-14(20-11)10-22-15(18(25)21-12(2)19(22)26)8-13-6-7-16(23)17(24)9-13/h3-7,9,12,15,23-24H,8,10H2,1-2H3,(H,21,25)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC3C%28%3DO%29NC%28C%29C%28%3DO%29N3Cc2nc%28C%29ccc2
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC3C%28%3DO%29NC%28C%29C%28%3DO%29N3Cc2nc%28C%29ccc2
Canonical MW:  355.38766
NaturalMW:  355.39438

Suppliers:




UC0181

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(O)CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CC(C)C)C2=O
InChI:  InChI=1/C17H22N2O6/c1-9(2)5-11-17(25)19(8-15(22)23)12(16(24)18-11)6-10-3-4-13(20)14(21)7-10/h3-4,7,9,11-12,20-21H,5-6,8H2,1-2H3,(H,18,24)(H,22,23)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28O%29CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CC%28C%29C%29C2%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28O%29CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CC%28C%29C%29C2%3DO
Canonical MW:  350.36627
NaturalMW:  350.37213

Suppliers:




UC0180

2007-07-27T17:31:07-5.00

(image)

SMILES:  Cc3cc(CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CCCC)C2=O)oc3C
InChI:  InChI=1/C22H28N2O5/c1-4-5-6-17-22(28)24(12-16-9-13(2)14(3)29-16)18(21(27)23-17)10-15-7-8-19(25)20(26)11-15/h7-9,11,17-18,25-26H,4-6,10,12H2,1-3H3,(H,23,27)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Cc3cc%28CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CCCC%29C2%3DO%29oc3C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Cc3cc%28CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CCCC%29C2%3DO%29oc3C
Canonical MW:  402.4839
NaturalMW:  402.49176

Suppliers:




UC0179

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=S(C)CCC(NC(=O)OC(C)(C)C)C(O)=O
InChI:  InChI=1/C10H19NO5S/c1-10(2,3)16-9(14)11-7(8(12)13)5-6-17(4)15/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DS%28C%29CCC%28NC%28%3DO%29OC%28C%29%28C%29C%29C%28O%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DS%28C%29CCC%28NC%28%3DO%29OC%28C%29%28C%29C%29C%28O%29%3DO
Canonical MW:  265.32645
NaturalMW:  265.32947

Suppliers:




UC0178

2007-07-27T17:31:07-5.00

(image)

SMILES:  CS(=O)CCC2NC(=O)C(CCN)N(Cc1cc(O)c(O)cc1)C2=O
InChI:  InChI=1/C16H23N3O5S/c1-25(24)7-5-11-16(23)19(12(4-6-17)15(22)18-11)9-10-2-3-13(20)14(21)8-10/h2-3,8,11-12,20-21H,4-7,9,17H2,1H3,(H,18,22)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CS%28%3DO%29CCC2NC%28%3DO%29C%28CCN%29N%28Cc1cc%28O%29c%28O%29cc1%29C2%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CS%28%3DO%29CCC2NC%28%3DO%29C%28CCN%29N%28Cc1cc%28O%29c%28O%29cc1%29C2%3DO
Canonical MW:  369.4358
NaturalMW:  369.44092

Suppliers:




UC0177

2007-07-27T17:31:07-5.00

(image)

SMILES:  CC(C)(C)OC(=O)NC(CCCCNC)C(O)=O
InChI:  InChI=1/C12H24N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)7-5-6-8-13-4/h9,13H,5-8H2,1-4H3,(H,14,17)(H,15,16)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29OC%28%3DO%29NC%28CCCCNC%29C%28O%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29OC%28%3DO%29NC%28CCCCNC%29C%28O%29%3DO
Canonical MW:  260.3298
NaturalMW:  260.33453

Suppliers:




UC0176

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C(C)CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CCCCNC)C2=O
InChI:  InChI=1/C19H27N3O5/c1-12(23)11-22-15(9-13-6-7-16(24)17(25)10-13)18(26)21-14(19(22)27)5-3-4-8-20-2/h6-7,10,14-15,20,24-25H,3-5,8-9,11H2,1-2H3,(H,21,26)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28C%29CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CCCCNC%29C2%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28C%29CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CCCCNC%29C2%3DO
Canonical MW:  377.4347
NaturalMW:  377.44147

Suppliers:




UC0175

2007-07-27T17:31:07-5.00

(image)

SMILES:  Ic1ccc(cc1)CC3NC(=O)C(CCCCN)N(Cc2cc(O)c(O)cc2)C3=O
InChI:  InChI=1/C22H26IN3O4/c23-16-7-4-14(5-8-16)11-17-22(30)26(13-15-6-9-19(27)20(28)12-15)18(21(29)25-17)3-1-2-10-24/h4-9,12,17-18,27-28H,1-3,10-11,13,24H2,(H,25,29)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Ic1ccc%28cc1%29CC3NC%28%3DO%29C%28CCCCN%29N%28Cc2cc%28O%29c%28O%29cc2%29C3%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Ic1ccc%28cc1%29CC3NC%28%3DO%29C%28CCCCN%29N%28Cc2cc%28O%29c%28O%29cc2%29C3%3DO
Canonical MW:  523.364
NaturalMW:  523.3722

Suppliers:




UC0174

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC3C(=O)NC(CC2CCCCC2)C(=O)N3CCCC(O)=O
InChI:  InChI=1/C22H30N2O6/c25-18-9-8-15(13-19(18)26)12-17-21(29)23-16(11-14-5-2-1-3-6-14)22(30)24(17)10-4-7-20(27)28/h8-9,13-14,16-17,25-26H,1-7,10-12H2,(H,23,29)(H,27,28)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC3C%28%3DO%29NC%28CC2CCCCC2%29C%28%3DO%29N3CCCC%28O%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC3C%28%3DO%29NC%28CC2CCCCC2%29C%28%3DO%29N3CCCC%28O%29%3DO
Canonical MW:  418.48325
NaturalMW:  418.49103

Suppliers:




UC0173

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CN2C(CCN)C(=O)NC(CN)C2=O
InChI:  InChI=1/C14H20N4O4/c15-4-3-10-13(21)17-9(6-16)14(22)18(10)7-8-1-2-11(19)12(20)5-8/h1-2,5,9-10,19-20H,3-4,6-7,15-16H2,(H,17,21)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CN2C%28CCN%29C%28%3DO%29NC%28CN%29C2%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CN2C%28CCN%29C%28%3DO%29NC%28CN%29C2%3DO
Canonical MW:  308.33286
NaturalMW:  308.33792

Suppliers:




UC0172

2007-07-27T17:31:07-5.00

(image)

SMILES:  Cc1ccc(o1)CN4C(=O)CNC(=O)C4c2ccc3OCOc3c2
InChI:  InChI=1/C17H16N2O5/c1-10-2-4-12(24-10)8-19-15(20)7-18-17(21)16(19)11-3-5-13-14(6-11)23-9-22-13/h2-6,16H,7-9H2,1H3,(H,18,21)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Cc1ccc%28o1%29CN4C%28%3DO%29CNC%28%3DO%29C4c2ccc3OCOc3c2
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Cc1ccc%28o1%29CN4C%28%3DO%29CNC%28%3DO%29C4c2ccc3OCOc3c2
Canonical MW:  334.36685
NaturalMW:  334.37283

Suppliers:




UC0171

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC2N(C(=O)CNC2=O)c3ccc(C)o3
InChI:  InChI=1/C16H16N2O5/c1-9-2-5-15(23-9)18-11(16(22)17-8-14(18)21)6-10-3-4-12(19)13(20)7-10/h2-5,7,11,19-20H,6,8H2,1H3,(H,17,22)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC2N%28C%28%3DO%29CNC2%3DO%29c3ccc%28C%29o3
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC2N%28C%28%3DO%29CNC2%3DO%29c3ccc%28C%29o3
Canonical MW:  316.30853
NaturalMW:  316.314

Suppliers:




UC0170

2007-07-27T17:31:07-5.00

(image)

SMILES:  O=C1CNC(C(C3=CC(O)=C(O)C=C3)N1CC2=CC=C(C)O2)=O
InChI:  InChI=1/C16H16N2O5/c1-9-2-4-11(23-9)8-18-14(21)7-17-16(22)15(18)10-3-5-12(19)13(20)6-10/h2-6,15,19-20H,7-8H2,1H3,(H,17,22)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC1CNC%28C%28C3%3DCC%28O%29%3DC%28O%29C%3DC3%29N1CC2%3DCC%3DC%28C%29O2%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC1CNC%28C%28C3%3DCC%28O%29%3DC%28O%29C%3DC3%29N1CC2%3DCC%3DC%28C%29O2%29%3DO
Canonical MW:  316.3085
NaturalMW:  316.31396

Suppliers:




UC0169

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(C=O)cc1O
InChI:  InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28C%3DO%29cc1O
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28C%3DO%29cc1O
Canonical MW:  138.1207
NaturalMW:  138.12306

Suppliers:




UC0168

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC3N(Cc2ccco2)C(=O)C(CCCCCC)NC3=O
InChI:  InChI=1/C22H28N2O5/c1-2-3-4-5-8-17-22(28)24(14-16-7-6-11-29-16)18(21(27)23-17)12-15-9-10-19(25)20(26)13-15/h6-7,9-11,13,17-18,25-26H,2-5,8,12,14H2,1H3,(H,23,27)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC3N%28Cc2ccco2%29C%28%3DO%29C%28CCCCCC%29NC3%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC3N%28Cc2ccco2%29C%28%3DO%29C%28CCCCCC%29NC3%3DO
Canonical MW:  400.46802
NaturalMW:  400.47583

Suppliers:




UC0167

2007-07-27T17:31:07-5.00

(image)

SMILES:  NCC(O)CCC2C(=O)NC(C(=O)N2Cc1cc(O)c(O)cc1)C(C)(C)C
InChI:  InChI=1/C19H29N3O5/c1-19(2,3)16-18(27)22(10-11-4-7-14(24)15(25)8-11)13(17(26)21-16)6-5-12(23)9-20/h4,7-8,12-13,16,23-25H,5-6,9-10,20H2,1-3H3,(H,21,26)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=NCC%28O%29CCC2C%28%3DO%29NC%28C%28%3DO%29N2Cc1cc%28O%29c%28O%29cc1%29C%28C%29%28C%29C
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=NCC%28O%29CCC2C%28%3DO%29NC%28C%28%3DO%29N2Cc1cc%28O%29c%28O%29cc1%29C%28C%29%28C%29C
Canonical MW:  379.45053
NaturalMW:  379.45743

Suppliers:




UC0166

2007-07-27T17:31:07-5.00

(image)

SMILES:  NCc1nccs1
InChI:  InChI=1/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=NCc1nccs1
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=NCc1nccs1
Canonical MW:  114.168846
NaturalMW:  114.16985

Suppliers:




UC0165

2007-07-27T17:31:07-5.00

(image)

SMILES:  Oc1ccc(cc1O)CC4N(Cc2nccs2)C(=O)C(CC3CCCCC3)NC4=O
InChI:  InChI=1/C22H27N3O4S/c26-18-7-6-15(12-19(18)27)11-17-21(28)24-16(10-14-4-2-1-3-5-14)22(29)25(17)13-20-23-8-9-30-20/h6-9,12,14,16-17,26-27H,1-5,10-11,13H2,(H,24,28)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC4N%28Cc2nccs2%29C%28%3DO%29C%28CC3CCCCC3%29NC4%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC4N%28Cc2nccs2%29C%28%3DO%29C%28CC3CCCCC3%29NC4%3DO
Canonical MW:  429.5324
NaturalMW:  429.53976

Suppliers:




UC0164

2007-07-27T17:31:07-5.00

SMILES:  Oc1ccc(cc1O)CC2C(=O)NC(CC)C(=O)N2CC(Br)C(Br)C(O)=O InChI:  InChI=1/C17H20Br2N2O6/c1-2-10-16(25)21(7-9(18)14(19)17(26)27)11(15(24)20-10)5-8-3-4-12(22)13(23)6-8/h3-4,6,9-11,14,22-23H,2,5,7H2,1H3,(H,20,24)(H,26,27) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC2C%28%3DO%29NC%28CC%29C%28%3DO%29N2CC%28Br%29C%28Br%29C%28O%29%3DO Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC2C%28%3DO%29NC%28CC%29C%28%3DO%29N2CC%28Br%29C%28Br%29C%28O%29%3DO Canonical MW:  508.15836 NaturalMW:  508.16327 Suppliers: [...]



UC0163

2007-07-27T17:31:07-5.00

SMILES:  OC(CN2C(CCC(N)=O)C(=O)NC(CC1CCCCC1)C2=O)C(O)CO InChI:  InChI=1/C18H31N3O6/c19-16(25)7-6-13-17(26)20-12(8-11-4-2-1-3-5-11)18(27)21(13)9-14(23)15(24)10-22/h11-15,22-24H,1-10H2,(H2,19,25)(H,20,26) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=OC%28CN2C%28CCC%28N%29%3DO%29C%28%3DO%29NC%28CC1CCCCC1%29C2%3DO%29C%28O%29CO Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=OC%28CN2C%28CCC%28N%29%3DO%29C%28%3DO%29NC%28CC1CCCCC1%29C2%3DO%29C%28O%29CO Canonical MW:  385.45505 NaturalMW:  385.46158 Suppliers: [...]



UC0162

2007-07-27T17:31:07-5.00

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SMILES:  CC(C)(C)OC(=O)NC(CCO)C(O)=O
InChI:  InChI=1/C9H17NO5/c1-9(2,3)15-8(14)10-6(4-5-11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)
Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29OC%28%3DO%29NC%28CCO%29C%28O%29%3DO
Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29OC%28%3DO%29NC%28CCO%29C%28O%29%3DO
Canonical MW:  219.23488
NaturalMW:  219.23822

Suppliers:




UC0161

2007-07-27T17:31:07-5.00

SMILES:  O=C(C)CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CCO)C2=O InChI:  InChI=1/C16H20N2O6/c1-9(20)8-18-12(6-10-2-3-13(21)14(22)7-10)15(23)17-11(4-5-19)16(18)24/h2-3,7,11-12,19,21-22H,4-6,8H2,1H3,(H,17,23) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=O%3DC%28C%29CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CCO%29C2%3DO Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=O%3DC%28C%29CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CCO%29C2%3DO Canonical MW:  336.3397 NaturalMW:  336.34515 Suppliers: [...]



UC0160

2007-07-27T17:31:07-5.00

SMILES:  OC(=O)C(NC(=O)OC(C)(C)C)C=1C\C=C/C=1 InChI:  InChI=1/C12H17NO4/c1-12(2,3)17-11(16)13-9(10(14)15)8-6-4-5-7-8/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=OC%28%3DO%29C%28NC%28%3DO%29OC%28C%29%28C%29C%29C%3D1C%5CC%3DC%2FC%3D1 Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=OC%28%3DO%29C%28NC%28%3DO%29OC%28C%29%28C%29C%29C%3D1C%5CC%3DC%2FC%3D1 Canonical MW:  241.28342 NaturalMW:  241.28798 Suppliers: [...]



UC0159

2007-07-27T17:31:07-5.00

SMILES:  Oc3ccc(CCCN1C(CCCCN)C(=O)NC(C1=O)C=2C\C=C/C=2)cc3OC InChI:  InChI=1/C23H31N3O4/c1-30-20-15-16(11-12-19(20)27)7-6-14-26-18(10-4-5-13-24)22(28)25-21(23(26)29)17-8-2-3-9-17/h2-3,8,11-12,15,18,21,27H,4-7,9-10,13-14,24H2,1H3,(H,25,28) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc3ccc%28CCCN1C%28CCCCN%29C%28%3DO%29NC%28C1%3DO%29C%3D2C%5CC%3DC%2FC%3D2%29cc3OC Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc3ccc%28CCCN1C%28CCCCN%29C%28%3DO%29NC%28C1%3DO%29C%3D2C%5CC%3DC%2FC%3D2%29cc3OC Canonical MW:  413.50983 NaturalMW:  413.51822 Suppliers: [...]



UC0158

2007-07-27T17:31:07-5.00

SMILES:  Oc1ccc(cc1O)CC3N(Cc2ccc(C)o2)C(=O)C(CCC)NC3=O InChI:  InChI=1/C20H24N2O5/c1-3-4-15-20(26)22(11-14-7-5-12(2)27-14)16(19(25)21-15)9-13-6-8-17(23)18(24)10-13/h5-8,10,15-16,23-24H,3-4,9,11H2,1-2H3,(H,21,25) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC3N%28Cc2ccc%28C%29o2%29C%28%3DO%29C%28CCC%29NC3%3DO Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC3N%28Cc2ccc%28C%29o2%29C%28%3DO%29C%28CCC%29NC3%3DO Canonical MW:  372.41486 NaturalMW:  372.42188 Suppliers: [...]



UC0157

2007-07-27T17:31:07-5.00

SMILES:  Oc1ccc(cc1O)CC4N(Cc2ccco2)C(=O)C(CC3CCCCC3)NC4=O InChI:  InChI=1/C23H28N2O5/c26-20-9-8-16(13-21(20)27)12-19-22(28)24-18(11-15-5-2-1-3-6-15)23(29)25(19)14-17-7-4-10-30-17/h4,7-10,13,15,18-19,26-27H,1-3,5-6,11-12,14H2,(H,24,28) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=Oc1ccc%28cc1O%29CC4N%28Cc2ccco2%29C%28%3DO%29C%28CC3CCCCC3%29NC4%3DO Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=Oc1ccc%28cc1O%29CC4N%28Cc2ccco2%29C%28%3DO%29C%28CC3CCCCC3%29NC4%3DO Canonical MW:  412.47873 NaturalMW:  412.48688 Suppliers: [...]



UC0156

2007-07-27T17:31:07-5.00

SMILES:  ClC(CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CC)C2=O)C(Cl)C(O)=O InChI:  InChI=1/C17H20Cl2N2O6/c1-2-10-16(25)21(7-9(18)14(19)17(26)27)11(15(24)20-10)5-8-3-4-12(22)13(23)6-8/h3-4,6,9-11,14,22-23H,2,5,7H2,1H3,(H,20,24)(H,26,27) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=ClC%28CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CC%29C2%3DO%29C%28Cl%29C%28O%29%3DO Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=ClC%28CN2C%28Cc1ccc%28O%29c%28O%29c1%29C%28%3DO%29NC%28CC%29C2%3DO%29C%28Cl%29C%28O%29%3DO Canonical MW:  419.2564 NaturalMW:  419.26166 Suppliers: [...]



UC0155

2007-07-27T17:31:07-5.00

SMILES:  CC(C)(C)OC(=O)NC(=O)CC=O InChI:  InChI=1/C8H13NO4/c1-8(2,3)13-7(12)9-6(11)4-5-10/h5H,4H2,1-3H3,(H,9,11,12) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=CC%28C%29%28C%29OC%28%3DO%29NC%28%3DO%29CC%3DO Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=CC%28C%29%28C%29OC%28%3DO%29NC%28%3DO%29CC%3DO Canonical MW:  187.19304 NaturalMW:  187.19597 Suppliers: [...]



UC0154

2007-07-27T17:31:07-5.00

SMILES:  NC(=O)CC2C(=O)NCC(=O)N2Cc1cc(O)c(O)cc1 InChI:  InChI=1/C13H15N3O5/c14-11(19)4-8-13(21)15-5-12(20)16(8)6-7-1-2-9(17)10(18)3-7/h1-3,8,17-18H,4-6H2,(H2,14,19)(H,15,21) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=NC%28%3DO%29CC2C%28%3DO%29NCC%28%3DO%29N2Cc1cc%28O%29c%28O%29cc1 Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=NC%28%3DO%29CC2C%28%3DO%29NCC%28%3DO%29N2Cc1cc%28O%29c%28O%29cc1 Canonical MW:  293.2752 NaturalMW:  293.27963 Suppliers: [...]



UC0153

2007-07-27T17:31:07-5.00

SMILES:  NCC(Cl)C(Cl)C(O)=O InChI:  InChI=1/C4H7Cl2NO2/c5-2(1-7)3(6)4(8)9/h2-3H,1,7H2,(H,8,9) Substructure Search:  http://www.emolecules.com/cgi-bin/search?t=ss&q=NCC%28Cl%29C%28Cl%29C%28O%29%3DO Chemical Service Lookup:  http://cholla.chemnavigator.com/cgi-bin/lookup/results?type=smiles&query=NCC%28Cl%29C%28Cl%29C%28O%29%3DO Canonical MW:  172.00986 NaturalMW:  172.0108 Suppliers: [...]