[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C21H19ClO6 MolecularWeight: 402.82496

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)Cl)OC1

InChI

InChI=1S/C21H19ClO6/c22-16-5-2-14(3-6-16)17(23)7-9-21(25)28-13-18(24)15-4-8-19-20(12-15)27-11-1-10-26-19/h2-6,8,12H,1,7,9-11,13H2