[2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-(4-bromo-2,5-dimethyl-anilino)-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-(4-bromo-2,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)CCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)CCC(=O)C2=CC=CC=C2

InChI

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