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

Systemtic Name: 4-[5-(3-chloranyl-5-fluoranyl-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(3-chloro-5-fluoro-7-propyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(3-chloro-5-fluoro-7-propyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(3-chloro-5-fluoro-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(3-chloro-5-fluoro-7-propyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H17ClFNO3 MolecularWeight: 397.826683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)F)C(=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CCCC1=C2C(=CC(=C1)F)C(=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C22H17ClFNO3/c1-2-3-14-10-15(24)11-16-19(23)21(28-20(14)16)18-9-8-17(25-18)12-4-6-13(7-5-12)22(26)27/h4-11,25H,2-3H2,1H3,(H,26,27)