[1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)CCC(=O)C1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)CCC(=O)C1=C(C=CC(=C1)Br)OC

InChI

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