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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21BrN2O6 MolecularWeight: 477.30524

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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)NCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H21BrN2O6/c1-29-18-9-7-15(22)11-16(18)17(25)8-10-20(27)30-13-19(26)24-21(28)23-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12-13H2,1H3,(H2,23,24,26,28)