methyl 4-[5-[7-fluoranyl-4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[5-[7-fluoranyl-4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[5-[7-fluoro-4-(trifluoromethyl)benzofuran-2-yl]-1H-pyrrol-2-yl]benzoate CAS Name: 4-[5-[7-fluoro-4-(trifluoromethyl)-2-benzofuranyl]-1H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrrol-2-yl]benzoate Traditional Name: 4-[5-[7-fluoro-4-(trifluoromethyl)benzofuran-2-yl]-1H-pyrrol-2-yl]benzoic acid methyl ester Formula: C21H13F4NO3 MolecularWeight: 403.326433

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(N2)C3=CC4=C(C=CC(=C4O3)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(N2)C3=CC4=C(C=CC(=C4O3)F)C(F)(F)F

InChI

InChI=1S/C21H13F4NO3/c1-28-20(27)12-4-2-11(3-5-12)16-8-9-17(26-16)18-10-13-14(21(23,24)25)6-7-15(22)19(13)29-18/h2-10,26H,1H3