5-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-1-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[2-[5-bromo-2-(4-fluorobenzyl)oxy-phenyl]-5-methyl-pyrrol-1-yl]-2-hydroxy-benzoic acid Formula: C25H19BrFNO4 MolecularWeight: 496.325063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)O)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)O)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H19BrFNO4/c1-15-2-9-22(28(15)19-8-10-23(29)21(13-19)25(30)31)20-12-17(26)5-11-24(20)32-14-16-3-6-18(27)7-4-16/h2-13,29H,14H2,1H3,(H,30,31)