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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23BrN2O6 MolecularWeight: 443.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O6/c1-11(2)9-20-18(25)21-16(23)10-27-17(24)7-5-14(22)13-8-12(19)4-6-15(13)26-3/h4,6,8,11H,5,7,9-10H2,1-3H3,(H2,20,21,23,25)