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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O6/c1-18(2,3)21-17(25)20-15(23)10-27-16(24)8-6-13(22)12-9-11(19)5-7-14(12)26-4/h5,7,9H,6,8,10H2,1-4H3,(H2,20,21,23,25)