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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,5-dimethylanilino)-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-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO5/c1-13-8-14(2)10-16(9-13)23-20(25)12-28-21(26)7-5-18(24)17-11-15(22)4-6-19(17)27-3/h4,6,8-11H,5,7,12H2,1-3H3,(H,23,25)