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

Systemtic Name: 1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-[2-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-[2-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C23H21F3N2O2 MolecularWeight: 414.42025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F

InChI

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