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

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic 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-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H23FO5 MolecularWeight: 434.456223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

InChI

InChI=1S/C26H23FO5/c1-17-7-9-18(10-8-17)23(28)11-12-24(29)30-15-20-13-22(27)14-21-16-31-26(32-25(20)21)19-5-3-2-4-6-19/h2-10,13-14,26H,11-12,15-16H2,1H3