2-(4-fluorophenyl)-4-[[1-methyl-4-(phenylcarbonylsulfanyl)pyrrolidin-2-yl]methoxy]benzoic acid

Systemtic Name: 2-(4-fluorophenyl)-4-[[1-methyl-4-(phenylcarbonylsulfanyl)pyrrolidin-2-yl]methoxy]benzoic acid Openeye Name: 4-[(4-benzoylsulfanyl-1-methyl-pyrrolidin-2-yl)methoxy]-2-(4-fluorophenyl)benzoic acid CAS Name: 4-[[4-(benzoylthio)-1-methyl-2-pyrrolidinyl]methoxy]-2-(4-fluorophenyl)benzoic acid IUPAC Name: 4-[(4-benzoylsulfanyl-1-methylpyrrolidin-2-yl)methoxy]-2-(4-fluorophenyl)benzoic acid Traditional Name: 4-[[4-(benzoylthio)-1-methyl-pyrrolidin-2-yl]methoxy]-2-(4-fluorophenyl)benzoic acid Formula: C26H24FNO4S MolecularWeight: 465.536463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1COC2=CC(=C(C=C2)C(=O)O)C3=CC=C(C=C3)F)SC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CC(CC1COC2=CC(=C(C=C2)C(=O)O)C3=CC=C(C=C3)F)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24FNO4S/c1-28-15-22(33-26(31)18-5-3-2-4-6-18)13-20(28)16-32-21-11-12-23(25(29)30)24(14-21)17-7-9-19(27)10-8-17/h2-12,14,20,22H,13,15-16H2,1H3,(H,29,30)