3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-phenylsulfanyl-propanoic acid

Systemtic Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-phenylsulfanyl-propanoic acid Openeye Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-phenylsulfanyl-propanoic acid CAS Name: 3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]-2-(phenylthio)propanoic acid IUPAC Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-phenylsulfanylpropanoic acid Traditional Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]-2-(phenylthio)propionic acid Formula: C25H22F3NO4S MolecularWeight: 489.50669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)O)SC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)O)SC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H22F3NO4S/c1-33-21-12-9-17(14-22(24(31)32)34-19-5-3-2-4-6-19)13-20(21)23(30)29-15-16-7-10-18(11-8-16)25(26,27)28/h2-13,22H,14-15H2,1H3,(H,29,30)(H,31,32)