(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C28H27FO6 MolecularWeight: 478.508783

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

InChI

InChI=1S/C28H27FO6/c1-2-14-32-24-10-8-19(9-11-24)25(30)12-13-26(31)33-17-21-15-23(29)16-22-18-34-28(35-27(21)22)20-6-4-3-5-7-20/h3-11,15-16,28H,2,12-14,17-18H2,1H3