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

Systemtic Name: (2-chlorophenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (2-chlorophenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid (2-chlorobenzyl) ester Formula: C20H19ClO5 MolecularWeight: 374.81486

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=CC=CC=C3Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=CC=CC=C3Cl)OC1

InChI

InChI=1S/C20H19ClO5/c21-16-5-2-1-4-15(16)13-26-20(23)9-7-17(22)14-6-8-18-19(12-14)25-11-3-10-24-18/h1-2,4-6,8,12H,3,7,9-11,13H2