[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H17ClO5 MolecularWeight: 360.78828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H17ClO5/c1-12(18(21)13-3-6-15(20)7-4-13)25-19(22)14-5-8-16-17(11-14)24-10-2-9-23-16/h3-8,11-12H,2,9-10H2,1H3