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

Systemtic Name: dimethyl 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-heptan-4-yl-1,2-oxazol-4-yl]methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-(1-propylbutyl)isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-heptan-4-yl-4-isoxazolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-heptan-4-yl-1,2-oxazol-4-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-(1-propylbutyl)isoxazol-4-yl]methyl]malonic acid dimethyl ester Formula: C23H39N2O10P MolecularWeight: 534.536921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N2O10P/c1-8-12-17(13-9-2)19-18(14-23(21(27)30-6,22(28)31-7)24-16(5)26)20(25-35-19)32-15-36(29,33-10-3)34-11-4/h17H,8-15H2,1-7H3,(H,24,26)