diethyl 2-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethanoyl]propanedioate

Systemtic Name: diethyl 2-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethanoyl]propanedioate Openeye Name: diethyl 2-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)acetyl]propanedioate CAS Name: 2-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)acetyl]propanedioate Traditional Name: 2-(2-cyanoethyl)-2-homoveratroyl-malonic acid diethyl ester Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC#N)(C(=O)CC1=CC(=C(C=C1)OC)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC#N)(C(=O)CC1=CC(=C(C=C1)OC)OC)C(=O)OCC

InChI

InChI=1S/C20H25NO7/c1-5-27-18(23)20(10-7-11-21,19(24)28-6-2)17(22)13-14-8-9-15(25-3)16(12-14)26-4/h8-9,12H,5-7,10,13H2,1-4H3