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

Systemtic Name: 2-[[(2E)-1-cyclohexyl-2-pyrrol-2-ylidene-3H-benzimidazol-5-yl]carbonylamino]-2-(3,4-dimethoxyphenyl)ethanoic acid Openeye Name: 2-[[(2E)-1-cyclohexyl-2-pyrrol-2-ylidene-3H-benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid CAS Name: 2-[[[(2E)-1-cyclohexyl-2-(2-pyrrolylidene)-3H-benzimidazol-5-yl]-oxomethyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid IUPAC Name: 2-[[(2E)-1-cyclohexyl-2-pyrrol-2-ylidene-3H-benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Traditional Name: 2-[[(2E)-1-cyclohexyl-2-pyrrol-2-ylidene-3H-benzimidazole-5-carbonyl]amino]-2-(3,4-dimethoxyphenyl)acetic acid Formula: C28H30N4O5 MolecularWeight: 502.5616

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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(=C4C=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(=C/4\C=CC=N4)/N3)C5CCCCC5)OC

InChI

InChI=1S/C28H30N4O5/c1-36-23-13-11-17(16-24(23)37-2)25(28(34)35)31-27(33)18-10-12-22-21(15-18)30-26(20-9-6-14-29-20)32(22)19-7-4-3-5-8-19/h6,9-16,19,25,30H,3-5,7-8H2,1-2H3,(H,31,33)(H,34,35)/b26-20+