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

Systemtic Name: 1-[quinolin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-quinolyl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[4-quinolinyl-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-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=CC=NC4=CC=CC=C34

Isomeric SMILES

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

InChI

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