Chem
J-GLOBAL ID：201707016967001402   Nikkaji number：J3.559.814F

4-(3-Chloro-2-fluorophenoxy)-1-[[6-(2-thiazoylamino)-2-pyridinyl]methyl]cyclohexanecarboxylic acid

4-(3-クロロ-2-フルオロフェノキシ)-1-[[6-(2-チアゾイルアミノ)-2-ピリジニル]メチル]シクロヘキサンカルボン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H21ClFN3O3S
Molecular formula furigana： C22-H21-CL-F-N3-O3-S
Molecular weight： 461.940
InChI： InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)
InChI key： LCVIRAZGMYMNNT-UHFFFAOYSA-N
SMILES： OC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F
Systematic name  (3)：
  • 4-(3-クロロ-2-フルオロフェノキシ)-1-[[6-(2-チアゾイルアミノ)-2-ピリジニル]メチル]シクロヘキサンカルボン酸
  • 4-(3-クロロ-2-フルオロフェノキシ)-1-({6-[(1,3-チアゾール-2-イル)アミノ]ピリジン-2-イル}メチル)シクロヘキサン-1-カルボン酸
  • 4-(3-chloro-2-fluorophenoxy)-1-({6-[(1,3-thiazol-2-yl)amino]pyridin-2-yl}methyl)cyclohexane-1-carboxylic acid
Other name (1)：
  • 4-(3-Chloro-2-fluorophenoxy)-1-[[6-(2-thiazoylamino)-2-pyridinyl]methyl]cyclohexanecarboxylic acid
CAS registry number： 1010085-13-8
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