methyl 1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-6-propoxy-1,2-dihydroindene-2-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-6-propoxy-1,2-dihydroindene-2-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-1-oxo-5-propoxy-indane-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-3-oxo-6-propoxy-1,2-dihydroindene-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-yl)-3-oxo-6-propoxy-1,2-dihydroindene-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-keto-5-propoxy-indane-2-carboxylic acid methyl ester Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=O)C(C2C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=O)C(C2C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C21H20O6/c1-3-8-25-13-5-6-14-15(10-13)18(19(20(14)22)21(23)24-2)12-4-7-16-17(9-12)27-11-26-16/h4-7,9-10,18-19H,3,8,11H2,1-2H3