diethyl 2-phenyl-3-pyridin-4-ylcarbonyl-butanedioate

Systemtic Name: diethyl 2-phenyl-3-pyridin-4-ylcarbonyl-butanedioate Openeye Name: diethyl 2-phenyl-3-(pyridine-4-carbonyl)butanedioate CAS Name: 2-[oxo(pyridin-4-yl)methyl]-3-phenylbutanedioic acid diethyl ester IUPAC Name: diethyl 2-phenyl-3-(pyridine-4-carbonyl)butanedioate Traditional Name: 2-isonicotinoyl-3-phenyl-succinic acid diethyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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