1-[(4-methylphenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(p-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methylphenyl)-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(p-tolyl)methyl]isonipecotic acid Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C28H29N3O2/c1-20-11-13-22(14-12-20)26(30-17-15-23(16-18-30)28(32)33)27-29-24-9-5-6-10-25(24)31(27)19-21-7-3-2-4-8-21/h2-14,23,26H,15-19H2,1H3,(H,32,33)