1-[quinolin-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[quinolin-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-quinolyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[4-quinolinyl-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-quinolyl-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C23H21F3N2O2 MolecularWeight: 414.42025

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

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