1-[[2,4-bis(fluoranyl)phenyl]-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(3-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(3-quinolyl)methyl]proline Formula: C21H18F2N2O2 MolecularWeight: 368.376626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4N=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

InChI=1S/C21H18F2N2O2/c22-15-7-8-16(17(23)11-15)20(25-9-3-6-19(25)21(26)27)14-10-13-4-1-2-5-18(13)24-12-14/h1-2,4-5,7-8,10-12,19-20H,3,6,9H2,(H,26,27)