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

Systemtic Name: 5-[2-[2-[[2,6-bis(fluoranyl)phenyl]methoxy]-5-chloranyl-phenyl]-5-methyl-pyrrol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[5-chloro-2-[(2,6-difluorophenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[2-[5-chloro-2-[(2,6-difluorophenyl)methoxy]phenyl]-5-methyl-1-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[5-chloro-2-[(2,6-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[2-[5-chloro-2-(2,6-difluorobenzyl)oxy-phenyl]-5-methyl-pyrrol-1-yl]-2-hydroxy-benzoic acid Formula: C25H18ClF2NO4 MolecularWeight: 469.864526

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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)Cl)OCC4=C(C=CC=C4F)F

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClF2NO4/c1-14-5-8-22(29(14)16-7-9-23(30)18(12-16)25(31)32)17-11-15(26)6-10-24(17)33-13-19-20(27)3-2-4-21(19)28/h2-12,30H,13H2,1H3,(H,31,32)