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

Systemtic Name: [2-[(4-bromanyl-3,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-ethanoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-3,5-dimethyl-anilino)-2-oxo-ethyl] 4-(3-acetylanilino)-4-oxo-butanoate CAS Name: 4-(3-acetylanilino)-4-oxobutanoic acid [2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl] 4-(3-acetylanilino)-4-oxobutanoate Traditional Name: 4-(3-acetylanilino)-4-keto-butyric acid [2-(4-bromo-3,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)NC(=O)COC(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)NC(=O)COC(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C22H23BrN2O5/c1-13-9-18(10-14(2)22(13)23)25-20(28)12-30-21(29)8-7-19(27)24-17-6-4-5-16(11-17)15(3)26/h4-6,9-11H,7-8,12H2,1-3H3,(H,24,27)(H,25,28)