2-[(1-cyclohexyl-2-thiophen-3-yl-benzimidazol-5-yl)carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid

Systemtic Name: 2-[(1-cyclohexyl-2-thiophen-3-yl-benzimidazol-5-yl)carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-thienyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-thiophenyl)-5-benzimidazolyl]-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-[(1-cyclohexyl-2-thiophen-3-ylbenzimidazole-5-carbonyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-thienyl)benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C28H29N3O5S MolecularWeight: 519.61196

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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=CSC=C4)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=CSC=C4)C5CCCCC5)OC

InChI

InChI=1S/C28H29N3O5S/c1-35-23-11-9-17(15-24(23)36-2)25(28(33)34)30-27(32)18-8-10-22-21(14-18)29-26(19-12-13-37-16-19)31(22)20-6-4-3-5-7-20/h8-16,20,25H,3-7H2,1-2H3,(H,30,32)(H,33,34)