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

Systemtic Name: 1-[(3-methylphenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(m-tolyl)methyl]isonipecotic acid Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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