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

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC)Br

InChI

InChI=1S/C21H22BrNO6/c1-13-4-6-16(15(22)10-13)23-20(25)12-29-21(26)9-7-17(24)14-5-8-18(27-2)19(11-14)28-3/h4-6,8,10-11H,7,9,12H2,1-3H3,(H,23,25)