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

Systemtic Name: 1-[[1-(phenylmethyl)benzimidazol-2-yl]-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(phenylmethyl)-2-benzimidazolyl]-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(3-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=CN=CC=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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