[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H22O5/c1-3-14-9-10-15(4-2)16(11-14)17(22)12-25-21(23)20-13-24-18-7-5-6-8-19(18)26-20/h5-11,20H,3-4,12-13H2,1-2H3/t20-/m1/s1