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

Systemtic Name: 1-[quinolin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-quinolyl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[3-quinolinyl-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-quinolyl-[4-(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=C(C=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3

InChI

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