[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H22O7/c1-2-11-26-17-6-3-15(4-7-17)18(23)8-10-22(25)27-13-19(24)16-5-9-20-21(12-16)29-14-28-20/h3-7,9,12H,2,8,10-11,13-14H2,1H3