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

Systemtic Name: dimethyl 2-acetamido-2-[(5-heptan-4-yl-3-oxidanylidene-1,2-oxazol-4-yl)methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[[3-oxo-5-(1-propylbutyl)isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[(5-heptan-4-yl-3-oxo-4-isoxazolyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[(5-heptan-4-yl-3-oxo-1,2-oxazol-4-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[[3-keto-5-(1-propylbutyl)-4-isoxazolin-4-yl]methyl]malonic acid dimethyl ester Formula: C18H28N2O7 MolecularWeight: 384.42412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=C(C(=O)NO1)CC(C(=O)OC)(C(=O)OC)NC(=O)C

Isomeric SMILES

CCCC(CCC)C1=C(C(=O)NO1)CC(C(=O)OC)(C(=O)OC)NC(=O)C

InChI

InChI=1S/C18H28N2O7/c1-6-8-12(9-7-2)14-13(15(22)20-27-14)10-18(16(23)25-4,17(24)26-5)19-11(3)21/h12H,6-10H2,1-5H3,(H,19,21)(H,20,22)