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

Systemtic Name: 2-[(1,2-dicyclohexylbenzimidazol-5-yl)carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: 2-[(1,2-dicyclohexylbenzimidazole-5-carbonyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: 2-[[(1,2-dicyclohexyl-5-benzimidazolyl)-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-[(1,2-dicyclohexylbenzimidazole-5-carbonyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-[(1,2-dicyclohexylbenzimidazole-5-carbonyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C30H37N3O5 MolecularWeight: 519.63188

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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)C4CCCCC4)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4CCCCC4)C5CCCCC5)OC

InChI

InChI=1S/C30H37N3O5/c1-37-25-16-14-20(18-26(25)38-2)27(30(35)36)32-29(34)21-13-15-24-23(17-21)31-28(19-9-5-3-6-10-19)33(24)22-11-7-4-8-12-22/h13-19,22,27H,3-12H2,1-2H3,(H,32,34)(H,35,36)