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

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

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

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