[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H20O7 MolecularWeight: 372.3686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H20O7/c1-23-16-6-3-13(9-18(16)24-2)4-8-20(22)25-11-15(21)14-5-7-17-19(10-14)27-12-26-17/h3,5-7,9-10H,4,8,11-12H2,1-2H3