1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl-[2-(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=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=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)20-4-2-1-3-19(20)21(28-11-8-15(9-12-28)22(29)30)17-5-6-18-14-27-10-7-16(18)13-17/h1-7,10,13-15,21H,8-9,11-12H2,(H,29,30)