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

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(6-isoquinolyl)methyl]proline Formula: C21H18F2N2O2 MolecularWeight: 368.376626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F2N2O2/c22-16-5-6-17(18(23)11-16)20(25-9-1-2-19(25)21(26)27)14-3-4-15-12-24-8-7-13(15)10-14/h3-8,10-12,19-20H,1-2,9H2,(H,26,27)