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

Systemtic Name: dimethyl 2-acetamido-2-[[5-butyl-3-(diethoxyphosphorylmethoxy)-1,2-oxazol-4-yl]methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[[5-butyl-3-(diethoxyphosphorylmethoxy)isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[5-butyl-3-(diethoxyphosphorylmethoxy)-4-isoxazolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[[5-butyl-3-(diethoxyphosphorylmethoxy)-1,2-oxazol-4-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[5-butyl-3-(diethoxyphosphorylmethoxy)isoxazol-4-yl]methyl]malonic acid dimethyl ester Formula: C20H33N2O10P MolecularWeight: 492.457181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NO1)OCP(=O)(OCC)OCC)CC(C(=O)OC)(C(=O)OC)NC(=O)C

Isomeric SMILES

CCCCC1=C(C(=NO1)OCP(=O)(OCC)OCC)CC(C(=O)OC)(C(=O)OC)NC(=O)C

InChI

InChI=1S/C20H33N2O10P/c1-7-10-11-16-15(12-20(18(24)27-5,19(25)28-6)21-14(4)23)17(22-32-16)29-13-33(26,30-8-2)31-9-3/h7-13H2,1-6H3,(H,21,23)