diethyl 2-[2-(1,3-benzodioxol-5-yl)ethyl]propanedioate

Systemtic Name: diethyl 2-[2-(1,3-benzodioxol-5-yl)ethyl]propanedioate Openeye Name: diethyl 2-[2-(1,3-benzodioxol-5-yl)ethyl]propanedioate CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(1,3-benzodioxol-5-yl)ethyl]propanedioate Traditional Name: 2-homopiperonylmalonic acid diethyl ester Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC2=C(C=C1)OCO2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=CC2=C(C=C1)OCO2)C(=O)OCC

InChI

InChI=1S/C16H20O6/c1-3-19-15(17)12(16(18)20-4-2)7-5-11-6-8-13-14(9-11)22-10-21-13/h6,8-9,12H,3-5,7,10H2,1-2H3