[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C20H19ClO6 MolecularWeight: 390.81426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H19ClO6/c1-2-24-15-6-4-13(5-7-15)17(22)12-27-20(23)14-10-16(21)19-18(11-14)25-8-3-9-26-19/h4-7,10-11H,2-3,8-9,12H2,1H3