diethyl 2-(4-acetamidophenyl)-2-pyridin-3-ylcarbonyl-propanedioate

Systemtic Name: diethyl 2-(4-acetamidophenyl)-2-pyridin-3-ylcarbonyl-propanedioate Openeye Name: diethyl 2-(4-acetamidophenyl)-2-(pyridine-3-carbonyl)propanedioate CAS Name: 2-(4-acetamidophenyl)-2-[oxo(3-pyridinyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-acetamidophenyl)-2-(pyridine-3-carbonyl)propanedioate Traditional Name: 2-(4-acetamidophenyl)-2-nicotinoyl-malonic acid diethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)NC(=O)C)(C(=O)C2=CN=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)NC(=O)C)(C(=O)C2=CN=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H22N2O6/c1-4-28-19(26)21(20(27)29-5-2,18(25)15-7-6-12-22-13-15)16-8-10-17(11-9-16)23-14(3)24/h6-13H,4-5H2,1-3H3,(H,23,24)