3-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 3-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)pyrrolidine-3-carboxylic acid Openeye Name: 3-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-pyridylsulfanyl)ethyl]pyrrolidine-3-carboxylic acid CAS Name: 3-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-[2-(2-pyridinylthio)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 3-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-pyridin-2-ylsulfanylethyl)pyrrolidine-3-carboxylic acid Traditional Name: 3-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-pyridylthio)ethyl]pyrrolidine-3-carboxylic acid Formula: C25H28FN3O3S MolecularWeight: 469.571523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CCN(C3)CCSC4=CC=CC=N4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CCN(C3)CCSC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C25H28FN3O3S/c1-32-18-7-8-22-20(15-18)19(21(26)16-28-22)5-4-9-25(24(30)31)10-12-29(17-25)13-14-33-23-6-2-3-11-27-23/h2-3,6-8,11,15-16H,4-5,9-10,12-14,17H2,1H3,(H,30,31)