3-[2-[2-[[2,6-bis(fluoranyl)phenyl]methoxy]-5-bromanyl-phenyl]-5-methyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[2-[[2,6-bis(fluoranyl)phenyl]methoxy]-5-bromanyl-phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[5-bromo-2-[(2,6-difluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[5-bromo-2-[(2,6-difluorophenyl)methoxy]phenyl]-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[5-bromo-2-[(2,6-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[5-bromo-2-(2,6-difluorobenzyl)oxy-phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Formula: C25H18BrF2NO3 MolecularWeight: 498.316126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=C(C=CC=C4F)F

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=C(C=CC=C4F)F

InChI

InChI=1S/C25H18BrF2NO3/c1-15-8-10-23(29(15)18-5-2-4-16(12-18)25(30)31)19-13-17(26)9-11-24(19)32-14-20-21(27)6-3-7-22(20)28/h2-13H,14H2,1H3,(H,30,31)