1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-[2-(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=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

InChI

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