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

Systemtic Name: (4-fluorophenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (4-fluorophenyl)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 (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)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 (4-fluorobenzyl) ester Formula: C20H19FO5 MolecularWeight: 358.360263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FO5/c21-16-5-2-14(3-6-16)13-26-20(23)9-7-17(22)15-4-8-18-19(12-15)25-11-1-10-24-18/h2-6,8,12H,1,7,9-11,13H2