diethyl 2-(phenylcarbonyloxy)-2-(2-pyridin-4-ylethyl)propanedioate

Systemtic Name: diethyl 2-(phenylcarbonyloxy)-2-(2-pyridin-4-ylethyl)propanedioate Openeye Name: diethyl 2-benzoyloxy-2-[2-(4-pyridyl)ethyl]propanedioate CAS Name: 2-benzoyloxy-2-(2-pyridin-4-ylethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzoyloxy-2-(2-pyridin-4-ylethyl)propanedioate Traditional Name: 2-benzoyloxy-2-[2-(4-pyridyl)ethyl]malonic acid diethyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=NC=C1)(C(=O)OCC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCC1=CC=NC=C1)(C(=O)OCC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO6/c1-3-26-19(24)21(20(25)27-4-2,13-10-16-11-14-22-15-12-16)28-18(23)17-8-6-5-7-9-17/h5-9,11-12,14-15H,3-4,10,13H2,1-2H3