[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H20O6/c1-14-2-4-15(5-3-14)18(23)13-27-21(24)9-7-17(22)16-6-8-19-20(12-16)26-11-10-25-19/h2-6,8,12H,7,9-11,13H2,1H3