1-[quinolin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[quinolin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-quinolyl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-quinolinyl-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-quinolyl-[2-(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=NC3=CC=CC=C3C=C2)C4=CC=CC=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4C(F)(F)F)C(=O)O

InChI

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