[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C20H20O5 MolecularWeight: 340.3698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H20O5/c1-2-14-4-6-15(7-5-14)17(21)13-25-20(22)16-8-9-18-19(12-16)24-11-3-10-23-18/h4-9,12H,2-3,10-11,13H2,1H3