methyl 4-[4-[7-fluoranyl-4-(trifluoromethyl)-1-benzofuran-2-yl]-4-oxidanylidene-butanoyl]benzoate

Systemtic Name: methyl 4-[4-[7-fluoranyl-4-(trifluoromethyl)-1-benzofuran-2-yl]-4-oxidanylidene-butanoyl]benzoate Openeye Name: methyl 4-[4-[7-fluoro-4-(trifluoromethyl)benzofuran-2-yl]-4-oxo-butanoyl]benzoate CAS Name: 4-[4-[7-fluoro-4-(trifluoromethyl)-2-benzofuranyl]-1,4-dioxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-yl]-4-oxobutanoyl]benzoate Traditional Name: 4-[4-[7-fluoro-4-(trifluoromethyl)benzofuran-2-yl]-4-keto-butanoyl]benzoic acid methyl ester Formula: C21H14F4O5 MolecularWeight: 422.326473

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC3=C(C=CC(=C3O2)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC3=C(C=CC(=C3O2)F)C(F)(F)F

InChI

InChI=1S/C21H14F4O5/c1-29-20(28)12-4-2-11(3-5-12)16(26)8-9-17(27)18-10-13-14(21(23,24)25)6-7-15(22)19(13)30-18/h2-7,10H,8-9H2,1H3