Chem
J-GLOBAL ID：200907087965583422   Nikkaji number：J2.560.810K

RQ-15986

4-[(S)-1-[[2-(4-フルオロフェノキシ)-5-クロロベンゾイル]アミノ]エチル]安息香酸
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： C22H17ClFNO4
Molecular formula furigana： C22-H17-CL-F-N-O4
Molecular weight： 413.830
InChI： InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
InChI key： MWBNCZHVEXULBD-ZDUSSCGKSA-N
SMILES： C[C@H](NC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1)c1ccc(cc1)C(=O)O
Systematic name  (4)：
  • 4-[(S)-1-[[2-(4-フルオロフェノキシ)-5-クロロベンゾイル]アミノ]エチル]安息香酸
  • 4-[(1S)-1-[[5-クロロ-2-(4-フルオロフェノキシ)ベンゾイル]アミノ]エチル]安息香酸
  • 4-[(1S)-1-{[5-クロロ-2-(4-フルオロフェノキシ)フェニル]ホルムアミド}エチル]安息香酸
  • 4-[(1S)-1-{[5-chloro-2-(4-fluorophenoxy)phenyl]formamido}ethyl]benzoic acid
Other name (5)：
  • 4-[(S)-1-[[2-(4-Fluorophenoxy)-5-chlorobenzoyl]amino]ethyl]benzoic acid
  • CJ-042794
  • 4-[(1S)-1-[[5-Chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid
  • RQ-00015986
  • RQ-15986
CAS registry number： 847728-01-2
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