methyl 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-4-(3,4,5-trimethoxyphenyl)butyric acid methyl ester Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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