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

Systemtic Name: 1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-[2-(trifluoromethyl)phenyl]methyl]proline Formula: C22H19F3N2O2 MolecularWeight: 400.39367

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H19F3N2O2/c23-22(24,25)18-5-2-1-4-17(18)20(27-11-3-6-19(27)21(28)29)15-7-8-16-13-26-10-9-14(16)12-15/h1-2,4-5,7-10,12-13,19-20H,3,6,11H2,(H,28,29)