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

Systemtic Name: (3-chlorophenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (3-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 (3-chlorophenyl)methyl ester IUPAC Name: (3-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 (3-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=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=CC(=CC=C3)Cl)OC1

InChI

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