1-[quinolin-4-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[quinolin-4-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[4-quinolyl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[4-quinolinyl-[2-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-4-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-quinolyl-[2-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C23H21F3N2O2 MolecularWeight: 414.42025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2C(F)(F)F)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2C(F)(F)F)C3=CC=NC4=CC=CC=C34

InChI

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