1-[isoquinolin-6-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-[4-(trifluoromethyl)phenyl]methyl]proline Formula: C22H19F3N2O2 MolecularWeight: 400.39367

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(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(N(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/C22H19F3N2O2/c23-22(24,25)18-7-5-14(6-8-18)20(27-11-1-2-19(27)21(28)29)16-3-4-17-13-26-10-9-15(17)12-16/h3-10,12-13,19-20H,1-2,11H2,(H,28,29)