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

Systemtic Name: 4-[5-(4-ethyl-5-fluoranyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(4-ethyl-5-fluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(4-ethyl-5-fluoro-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-ethyl-5-fluoro-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(4-ethyl-5-fluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H16FNO3 MolecularWeight: 349.355043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

CCC1=C(C=CC2=C1C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)F

InChI

InChI=1S/C21H16FNO3/c1-2-14-15-11-20(26-19(15)10-7-16(14)22)18-9-8-17(23-18)12-3-5-13(6-4-12)21(24)25/h3-11,23H,2H2,1H3,(H,24,25)