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

Systemtic Name: 1-[[1-(phenylmethyl)benzimidazol-2-yl]-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(phenylmethyl)-2-benzimidazolyl]-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-pyridyl)methyl]isonipecotic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC=N2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=N2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c31-26(32)20-13-16-29(17-14-20)24(22-11-6-7-15-27-22)25-28-21-10-4-5-12-23(21)30(25)18-19-8-2-1-3-9-19/h1-12,15,20,24H,13-14,16-18H2,(H,31,32)