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

Systemtic Name: 4-[5-[4-ethyl-5,7-bis(fluoranyl)-1-benzofuran-2-yl]-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(4-ethyl-5,7-difluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(4-ethyl-5,7-difluoro-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-ethyl-5,7-difluoro-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(4-ethyl-5,7-difluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H15F2NO3 MolecularWeight: 367.345506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(OC2=C(C=C1F)F)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCC1=C2C=C(OC2=C(C=C1F)F)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15F2NO3/c1-2-13-14-9-19(27-20(14)16(23)10-15(13)22)18-8-7-17(24-18)11-3-5-12(6-4-11)21(25)26/h3-10,24H,2H2,1H3,(H,25,26)