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

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H20BrNO6/c1-28-18-9-7-15(22)12-16(18)17(24)8-10-21(27)29-13-20(26)23-19(25)11-14-5-3-2-4-6-14/h2-7,9,12H,8,10-11,13H2,1H3,(H,23,25,26)