diethyl 2-(phenylmethyl)-2-pyridin-4-ylcarbonyl-propanedioate

Systemtic Name: diethyl 2-(phenylmethyl)-2-pyridin-4-ylcarbonyl-propanedioate Openeye Name: diethyl 2-benzyl-2-(pyridine-4-carbonyl)propanedioate CAS Name: 2-[oxo(pyridin-4-yl)methyl]-2-(phenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzyl-2-(pyridine-4-carbonyl)propanedioate Traditional Name: 2-benzyl-2-isonicotinoyl-malonic acid diethyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)(C(=O)C2=CC=NC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)(C(=O)C2=CC=NC=C2)C(=O)OCC

InChI

InChI=1S/C20H21NO5/c1-3-25-18(23)20(19(24)26-4-2,14-15-8-6-5-7-9-15)17(22)16-10-12-21-13-11-16/h5-13H,3-4,14H2,1-2H3