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

Systemtic Name: 4-[5-(3-bromanyl-4,7-diethyl-5-fluoranyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(3-bromo-4,7-diethyl-5-fluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(3-bromo-4,7-diethyl-5-fluoro-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(3-bromo-4,7-diethyl-5-fluoro-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(3-bromo-4,7-diethyl-5-fluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C23H19BrFNO3 MolecularWeight: 456.304263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C2=C1OC(=C2Br)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)CC)F

Isomeric SMILES

CCC1=CC(=C(C2=C1OC(=C2Br)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)CC)F

InChI

InChI=1S/C23H19BrFNO3/c1-3-12-11-16(25)15(4-2)19-20(24)22(29-21(12)19)18-10-9-17(26-18)13-5-7-14(8-6-13)23(27)28/h5-11,26H,3-4H2,1-2H3,(H,27,28)