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

Systemtic Name: 1-[(2-methoxyphenyl)-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-methoxyphenyl)methyl]isonipecotic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C28H29N3O3/c1-34-25-14-8-5-11-22(25)26(30-17-15-21(16-18-30)28(32)33)27-29-23-12-6-7-13-24(23)31(27)19-20-9-3-2-4-10-20/h2-14,21,26H,15-19H2,1H3,(H,32,33)