methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfonyl-propanoate

Systemtic Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfonyl-propanoate Openeye Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfonyl-propanoate CAS Name: 3-[4-methoxy-3-[oxo-[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]-2-methylsulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2-methylsulfonylpropanoate Traditional Name: 2-mesyl-3-[4-methoxy-3-[[4-(trifluoromethyl)benzyl]carbamoyl]phenyl]propionic acid methyl ester Formula: C21H22F3NO6S MolecularWeight: 473.46269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)OC)S(=O)(=O)C)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)OC)S(=O)(=O)C)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H22F3NO6S/c1-30-17-9-6-14(11-18(20(27)31-2)32(3,28)29)10-16(17)19(26)25-12-13-4-7-15(8-5-13)21(22,23)24/h4-10,18H,11-12H2,1-3H3,(H,25,26)