[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H21BrN2O6 MolecularWeight: 429.26244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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