(2-methylphenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-methylphenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: o-tolylmethyl 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-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 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-methylbenzyl) ester Formula: C20H20O5 MolecularWeight: 340.3698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=CC=C1COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H20O5/c1-14-4-2-3-5-16(14)13-25-20(22)9-7-17(21)15-6-8-18-19(12-15)24-11-10-23-18/h2-6,8,12H,7,9-11,13H2,1H3