1-[isoquinolin-6-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C23H21F3N2O2 MolecularWeight: 414.42025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)C=NC=C4)C(=O)O

InChI

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