4-[5-(7-ethyl-5-fluoranyl-3-methyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(7-ethyl-5-fluoranyl-3-methyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-ethyl-5-fluoro-3-methyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-ethyl-5-fluoro-3-methyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-ethyl-5-fluoro-3-methyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-ethyl-5-fluoro-3-methyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H18FNO3 MolecularWeight: 363.381623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)F)C(=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)F)C(=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C22H18FNO3/c1-3-13-10-16(23)11-17-12(2)20(27-21(13)17)19-9-8-18(24-19)14-4-6-15(7-5-14)22(25)26/h4-11,24H,3H2,1-2H3,(H,25,26)