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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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