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

Systemtic Name: 1-[phenyl-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[phenyl-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-phenyl-methyl]isonipecotic acid Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c31-27(32)22-15-17-29(18-16-22)25(21-11-5-2-6-12-21)26-28-23-13-7-8-14-24(23)30(26)19-20-9-3-1-4-10-20/h1-14,22,25H,15-19H2,(H,31,32)