dimethyl 2-acetamido-2-[[2-(acetyloxymethyl)-5-heptan-4-yl-3-oxidanylidene-1,2-oxazol-4-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-acetamido-2-[[2-(acetyloxymethyl)-5-heptan-4-yl-3-oxidanylidene-1,2-oxazol-4-yl]methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[[2-(acetoxymethyl)-3-oxo-5-(1-propylbutyl)isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[2-(acetyloxymethyl)-5-heptan-4-yl-3-oxo-4-isoxazolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[[2-(acetyloxymethyl)-5-heptan-4-yl-3-oxo-1,2-oxazol-4-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[2-(acetoxymethyl)-3-keto-5-(1-propylbutyl)-4-isoxazolin-4-yl]methyl]malonic acid dimethyl ester Formula: C21H32N2O9 MolecularWeight: 456.48678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=C(C(=O)N(O1)COC(=O)C)CC(C(=O)OC)(C(=O)OC)NC(=O)C

Isomeric SMILES

CCCC(CCC)C1=C(C(=O)N(O1)COC(=O)C)CC(C(=O)OC)(C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H32N2O9/c1-7-9-15(10-8-2)17-16(18(26)23(32-17)12-31-14(4)25)11-21(19(27)29-5,20(28)30-6)22-13(3)24/h15H,7-12H2,1-6H3,(H,22,24)