5-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]-2-fluoranyl-benzoic acid Openeye Name: 5-[2-(5-bromo-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-fluoro-benzoic acid CAS Name: 5-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-5-methyl-1-pyrrolyl]-2-fluorobenzoic acid IUPAC Name: 5-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-5-methylpyrrol-1-yl]-2-fluorobenzoic acid Traditional Name: 5-[2-(5-bromo-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-fluoro-benzoic acid Formula: C22H21BrFNO3 MolecularWeight: 446.309443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)F)C(=O)O)C3=C(C=CC(=C3)Br)OCC(C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)F)C(=O)O)C3=C(C=CC(=C3)Br)OCC(C)C

InChI

InChI=1S/C22H21BrFNO3/c1-13(2)12-28-21-9-5-15(23)10-18(21)20-8-4-14(3)25(20)16-6-7-19(24)17(11-16)22(26)27/h4-11,13H,12H2,1-3H3,(H,26,27)