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

Systemtic Name: diethyl 2-acetamido-2-[(3-ethoxy-4-phenyl-1,2-oxazol-5-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(3-ethoxy-4-phenyl-isoxazol-5-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(3-ethoxy-4-phenyl-5-isoxazolyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(3-ethoxy-4-phenyl-1,2-oxazol-5-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(3-ethoxy-4-phenyl-isoxazol-5-yl)methyl]malonic acid diethyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NOC(=C1C2=CC=CC=C2)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC1=NOC(=C1C2=CC=CC=C2)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H26N2O7/c1-5-27-18-17(15-11-9-8-10-12-15)16(30-23-18)13-21(22-14(4)24,19(25)28-6-2)20(26)29-7-3/h8-12H,5-7,13H2,1-4H3,(H,22,24)