1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-isoquinolin-6-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(6-isoquinolyl)methyl]pipecolinic acid Formula: C23H20ClF3N2O2 MolecularWeight: 448.86531

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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=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClF3N2O2/c24-19-7-6-17(23(25,26)27)12-18(19)21(29-10-2-1-3-20(29)22(30)31)15-4-5-16-13-28-9-8-14(16)11-15/h4-9,11-13,20-21H,1-3,10H2,(H,30,31)