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

Systemtic Name: 1-[(4-acetamidophenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(1-benzylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C29H30N4O3/c1-20(34)30-24-13-11-22(12-14-24)27(32-17-15-23(16-18-32)29(35)36)28-31-25-9-5-6-10-26(25)33(28)19-21-7-3-2-4-8-21/h2-14,23,27H,15-19H2,1H3,(H,30,34)(H,35,36)