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

Systemtic Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfanyl-propanoic acid Openeye Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfanyl-propanoic acid CAS Name: 3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]-2-(methylthio)propanoic acid IUPAC Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfanylpropanoic acid Traditional Name: 3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]-2-(methylthio)propionic acid Formula: C20H20F3NO4S MolecularWeight: 427.43731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)O)SC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)O)SC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H20F3NO4S/c1-28-16-8-5-13(10-17(29-2)19(26)27)9-15(16)18(25)24-11-12-3-6-14(7-4-12)20(21,22)23/h3-9,17H,10-11H2,1-2H3,(H,24,25)(H,26,27)