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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22O8/c1-24-18-8-13(9-19(25-2)21(18)26-3)4-7-20(23)27-11-15(22)14-5-6-16-17(10-14)29-12-28-16/h5-6,8-10H,4,7,11-12H2,1-3H3