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

Systemtic Name: 4-[5-(3-chloranyl-7-ethyl-5-fluoranyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(3-chloro-7-ethyl-5-fluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(3-chloro-7-ethyl-5-fluoro-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(3-chloro-7-ethyl-5-fluoro-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(3-chloro-7-ethyl-5-fluoro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H15ClFNO3 MolecularWeight: 383.800103

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClFNO3/c1-2-11-9-14(23)10-15-18(22)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)