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

Systemtic Name: [2-[ethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(N-ethylanilino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(N-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethylanilino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(N-ethylanilino)-2-keto-ethyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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