[2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2-ethyl-anilino)-2-oxo-ethyl] 4-(4-acetamidoanilino)-4-oxo-butanoate CAS Name: 4-(4-acetamidoanilino)-4-oxobutanoic acid [2-(4-bromo-2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-ethylanilino)-2-oxoethyl] 4-(4-acetamidoanilino)-4-oxobutanoate Traditional Name: 4-(4-acetamidoanilino)-4-keto-butyric acid [2-(4-bromo-2-ethyl-anilino)-2-keto-ethyl] ester Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H24BrN3O5/c1-3-15-12-16(23)4-9-19(15)26-21(29)13-31-22(30)11-10-20(28)25-18-7-5-17(6-8-18)24-14(2)27/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)