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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CCC(=O)C1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CCCCNC(=O)COC(=O)CCC(=O)C1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C17H22BrNO5/c1-3-4-9-19-16(21)11-24-17(22)8-6-14(20)13-10-12(18)5-7-15(13)23-2/h5,7,10H,3-4,6,8-9,11H2,1-2H3,(H,19,21)