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

Systemtic Name: 1-[furan-2-yl-[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-furyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-furanyl-[1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-benzylbenzimidazol-2-yl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-benzylbenzimidazol-2-yl)-(2-furyl)methyl]isonipecotic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CO2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CO2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O3/c29-25(30)19-12-14-27(15-13-19)23(22-11-6-16-31-22)24-26-20-9-4-5-10-21(20)28(24)17-18-7-2-1-3-8-18/h1-11,16,19,23H,12-15,17H2,(H,29,30)