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

Systemtic Name: 4-[5-(4-ethyl-5-fluoranyl-7-propoxy-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(4-ethyl-5-fluoro-7-propoxy-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(4-ethyl-5-fluoro-7-propoxy-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-ethyl-5-fluoro-7-propoxy-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(4-ethyl-5-fluoro-7-propoxy-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C24H22FNO4 MolecularWeight: 407.434183

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C2=C1OC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)CC)F

Isomeric SMILES

CCCOC1=CC(=C(C2=C1OC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)CC)F

InChI

InChI=1S/C24H22FNO4/c1-3-11-29-22-13-18(25)16(4-2)17-12-21(30-23(17)22)20-10-9-19(26-20)14-5-7-15(8-6-14)24(27)28/h5-10,12-13,26H,3-4,11H2,1-2H3,(H,27,28)