[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO4/c1-13-9-14(2)11-17(10-13)22-19(24)12-26-20(25)8-7-18(23)15-3-5-16(21)6-4-15/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,24)