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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(isopropylcarbamoylamino)-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-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21BrN2O6 MolecularWeight: 429.26244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O6/c1-10(2)19-17(24)20-15(22)9-26-16(23)7-5-13(21)12-8-11(18)4-6-14(12)25-3/h4,6,8,10H,5,7,9H2,1-3H3,(H2,19,20,22,24)