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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-15(6-8-20)21(28-11-1-2-19(14-28)22(29)30)17-3-4-18-13-27-10-9-16(18)12-17/h3-10,12-13,19,21H,1-2,11,14H2,(H,29,30)