1-[isoquinolin-6-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[6-isoquinolyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[6-isoquinolinyl-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[6-isoquinolyl-[3-(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=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)C=NC=C4

InChI

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