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

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

Systemtic Name:1-[isoquinolin-6-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
Openeye Name:1-[6-isoquinolyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CAS Name:1-[6-isoquinolinyl-[3-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid
IUPAC Name:1-[isoquinolin-6-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
Traditional Name:1-[6-isoquinolyl-[3-(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=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)C=NC=C4


Isomeric SMILES

C1CCN(C(C1)C(=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)19-5-3-4-16(13-19)21(28-11-2-1-6-20(28)22(29)30)17-7-8-18-14-27-10-9-15(18)12-17/h3-5,7-10,12-14,20-21H,1-2,6,11H2,(H,29,30)


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