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

Systemtic Name: 1-[quinolin-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-quinolyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[3-quinolinyl-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-quinolyl-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C23H21F3N2O2 MolecularWeight: 414.42025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

InChI=1S/C23H21F3N2O2/c24-23(25,26)19-8-3-6-16(12-19)21(28-10-4-7-17(14-28)22(29)30)18-11-15-5-1-2-9-20(15)27-13-18/h1-3,5-6,8-9,11-13,17,21H,4,7,10,14H2,(H,29,30)