1-[(3,4-dimethoxyphenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O)OC

InChI

InChI=1S/C29H31N3O4/c1-35-25-13-12-22(18-26(25)36-2)27(31-16-14-21(15-17-31)29(33)34)28-30-23-10-6-7-11-24(23)32(28)19-20-8-4-3-5-9-20/h3-13,18,21,27H,14-17,19H2,1-2H3,(H,33,34)