3-[1-cyclohexyl-5-[[1-(3,4-dimethoxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]carbamoyl]benzimidazol-2-yl]benzoic acid

Systemtic Name: 3-[1-cyclohexyl-5-[[1-(3,4-dimethoxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]carbamoyl]benzimidazol-2-yl]benzoic acid Openeye Name: 3-[1-cyclohexyl-5-[[1-(3,4-dimethoxyphenyl)-2-hydroxy-2-oxo-ethyl]carbamoyl]benzimidazol-2-yl]benzoic acid CAS Name: 3-[1-cyclohexyl-5-[[[1-(3,4-dimethoxyphenyl)-2-hydroxy-2-oxoethyl]amino]-oxomethyl]-2-benzimidazolyl]benzoic acid IUPAC Name: 3-[1-cyclohexyl-5-[[1-(3,4-dimethoxyphenyl)-2-hydroxy-2-oxoethyl]carbamoyl]benzimidazol-2-yl]benzoic acid Traditional Name: 3-[1-cyclohexyl-5-[[1-(3,4-dimethoxyphenyl)-2-hydroxy-2-keto-ethyl]carbamoyl]benzimidazol-2-yl]benzoic acid Formula: C31H31N3O7 MolecularWeight: 557.59374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC(=CC=C4)C(=O)O)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC(=CC=C4)C(=O)O)C5CCCCC5)OC

InChI

InChI=1S/C31H31N3O7/c1-40-25-14-12-18(17-26(25)41-2)27(31(38)39)33-29(35)20-11-13-24-23(16-20)32-28(34(24)22-9-4-3-5-10-22)19-7-6-8-21(15-19)30(36)37/h6-8,11-17,22,27H,3-5,9-10H2,1-2H3,(H,33,35)(H,36,37)(H,38,39)