[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H22BrNO7 MolecularWeight: 480.30588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H22BrNO7/c1-27-15-9-14(10-16(11-15)28-2)23-20(25)12-30-21(26)7-5-18(24)17-8-13(22)4-6-19(17)29-3/h4,6,8-11H,5,7,12H2,1-3H3,(H,23,25)