[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22FNO6 MolecularWeight: 403.400883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO6/c1-13(21(26)23-16-8-10-18(27-2)19(12-16)28-3)29-20(25)11-9-17(24)14-4-6-15(22)7-5-14/h4-8,10,12-13H,9,11H2,1-3H3,(H,23,26)