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

Systemtic Name: 2-[(1-cyclohexyl-2-thiophen-2-yl-benzimidazol-5-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 2-[[(1-cyclohexyl-2-thiophen-2-yl-5-benzimidazolyl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 2-[(1-cyclohexyl-2-thiophen-2-ylbenzimidazole-5-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(2-thienyl)benzimidazole-5-carbonyl]amino]-3-(3,4-dimethoxyphenyl)propionic acid Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CS4)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CS4)C5CCCCC5)OC

InChI

InChI=1S/C29H31N3O5S/c1-36-24-13-10-18(16-25(24)37-2)15-22(29(34)35)31-28(33)19-11-12-23-21(17-19)30-27(26-9-6-14-38-26)32(23)20-7-4-3-5-8-20/h6,9-14,16-17,20,22H,3-5,7-8,15H2,1-2H3,(H,31,33)(H,34,35)