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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(6-isoquinolyl)methyl]proline Formula: C22H18ClF3N2O2 MolecularWeight: 434.83873

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C22H18ClF3N2O2/c23-18-6-5-16(22(24,25)26)11-17(18)20(28-9-1-2-19(28)21(29)30)14-3-4-15-12-27-8-7-13(15)10-14/h3-8,10-12,19-20H,1-2,9H2,(H,29,30)