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

Systemtic Name: 4-[5-[7-ethyl-3,5-bis(fluoranyl)-1-benzofuran-2-yl]-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-ethyl-3,5-difluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-ethyl-3,5-difluoro-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-ethyl-3,5-difluoro-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-ethyl-3,5-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(=CC(=C1)F)C(=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

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

InChI

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