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

Systemtic Name: 2-[(1-cyclohexyl-2-imidazol-2-ylidene-3H-benzimidazol-5-yl)carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: 2-[(1-cyclohexyl-2-imidazol-2-ylidene-3H-benzimidazole-5-carbonyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: 2-[[[1-cyclohexyl-2-(2-imidazolylidene)-3H-benzimidazol-5-yl]-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-[(1-cyclohexyl-2-imidazol-2-ylidene-3H-benzimidazole-5-carbonyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-[(1-cyclohexyl-2-imidazol-2-ylidene-3H-benzimidazole-5-carbonyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C27H29N5O5 MolecularWeight: 503.54966

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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(=C4N=CC=N4)N3)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=C4N=CC=N4)N3)C5CCCCC5)OC

InChI

InChI=1S/C27H29N5O5/c1-36-21-11-9-16(15-22(21)37-2)23(27(34)35)31-26(33)17-8-10-20-19(14-17)30-25(24-28-12-13-29-24)32(20)18-6-4-3-5-7-18/h8-15,18,23,30H,3-7H2,1-2H3,(H,31,33)(H,34,35)