1-[(3-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C29H28N2O3 MolecularWeight: 452.54422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

InChI

InChI=1S/C29H28N2O3/c32-29(33)24-12-7-15-31(19-24)28(25-16-22-10-4-5-14-27(22)30-18-25)23-11-6-13-26(17-23)34-20-21-8-2-1-3-9-21/h1-6,8-11,13-14,16-18,24,28H,7,12,15,19-20H2,(H,32,33)