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

Systemtic Name: 5-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]pyrrol-1-yl]-2-fluoranyl-benzoic acid Openeye Name: 5-[2-(5-bromo-2-isobutoxy-phenyl)pyrrol-1-yl]-2-fluoro-benzoic acid CAS Name: 5-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-1-pyrrolyl]-2-fluorobenzoic acid IUPAC Name: 5-[2-[5-bromo-2-(2-methylpropoxy)phenyl]pyrrol-1-yl]-2-fluorobenzoic acid Traditional Name: 5-[2-(5-bromo-2-isobutoxy-phenyl)pyrrol-1-yl]-2-fluoro-benzoic acid Formula: C21H19BrFNO3 MolecularWeight: 432.282863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C2=CC=CN2C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C2=CC=CN2C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H19BrFNO3/c1-13(2)12-27-20-8-5-14(22)10-17(20)19-4-3-9-24(19)15-6-7-18(23)16(11-15)21(25)26/h3-11,13H,12H2,1-2H3,(H,25,26)