diethyl 2-acetamido-2-[[3-ethoxy-5-(phenylmethyl)-1,2-oxazol-4-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[3-ethoxy-5-(phenylmethyl)-1,2-oxazol-4-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(5-benzyl-3-ethoxy-isoxazol-4-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[[3-ethoxy-5-(phenylmethyl)-4-isoxazolyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(5-benzyl-3-ethoxy-1,2-oxazol-4-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(5-benzyl-3-ethoxy-isoxazol-4-yl)methyl]malonic acid diethyl ester Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NOC(=C1CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=NOC(=C1CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O7/c1-5-28-19-17(18(31-24-19)13-16-11-9-8-10-12-16)14-22(23-15(4)25,20(26)29-6-2)21(27)30-7-3/h8-12H,5-7,13-14H2,1-4H3,(H,23,25)