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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O7/c1-23-15-7-13(8-16(10-15)24-2)3-6-20(22)25-11-17(21)14-4-5-18-19(9-14)27-12-26-18/h4-5,7-10H,3,6,11-12H2,1-2H3