(5-fluoranyl-2-methoxy-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (5-fluoro-2-methoxy-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid (5-fluoro-2-methoxyphenyl)methyl ester IUPAC Name: (5-fluoro-2-methoxyphenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (5-fluoro-2-methoxy-benzyl) ester Formula: C20H19FO6 MolecularWeight: 374.359663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)F)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H19FO6/c1-24-17-6-3-15(21)10-14(17)12-27-20(23)7-4-16(22)13-2-5-18-19(11-13)26-9-8-25-18/h2-3,5-6,10-11H,4,7-9,12H2,1H3