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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC4=CC=CC=C34

InChI

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