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

Systemtic Name: diethyl 2-acetamido-2-[(3-ethoxy-4-hexyl-1,2-oxazol-5-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(3-ethoxy-4-hexyl-isoxazol-5-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(3-ethoxy-4-hexyl-5-isoxazolyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(3-ethoxy-4-hexyl-1,2-oxazol-5-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(3-ethoxy-4-hexyl-isoxazol-5-yl)methyl]malonic acid diethyl ester Formula: C21H34N2O7 MolecularWeight: 426.50386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(ON=C1OCC)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCC1=C(ON=C1OCC)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H34N2O7/c1-6-10-11-12-13-16-17(30-23-18(16)27-7-2)14-21(22-15(5)24,19(25)28-8-3)20(26)29-9-4/h6-14H2,1-5H3,(H,22,24)