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

Systemtic Name: diethyl 2-(4-benzamidophenyl)-2-pyridin-3-ylcarbonyl-propanedioate Openeye Name: diethyl 2-(4-benzamidophenyl)-2-(pyridine-3-carbonyl)propanedioate CAS Name: 2-(4-benzamidophenyl)-2-[oxo(3-pyridinyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-benzamidophenyl)-2-(pyridine-3-carbonyl)propanedioate Traditional Name: 2-(4-benzamidophenyl)-2-nicotinoyl-malonic acid diethyl ester Formula: C26H24N2O6 MolecularWeight: 460.47856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)(C(=O)C3=CN=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)(C(=O)C3=CN=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H24N2O6/c1-3-33-24(31)26(25(32)34-4-2,22(29)19-11-8-16-27-17-19)20-12-14-21(15-13-20)28-23(30)18-9-6-5-7-10-18/h5-17H,3-4H2,1-2H3,(H,28,30)