Chem
J-GLOBAL ID：200907029358202215   Nikkaji number：J1.722.478F

PD-118057

2-[[4-(3,4-ジクロロフェネチル)フェニル]アミノ]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： C21H17Cl2NO2
Molecular formula furigana： C21-H17-CL2-N-O2
Molecular weight： 386.270
InChI： InChI=1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)
InChI key： ZCQOSCDABPVAFB-UHFFFAOYSA-N
SMILES： OC(=O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1
Systematic name  (4)：
  • 2-[[4-(3,4-ジクロロフェネチル)フェニル]アミノ]安息香酸
  • 2-[4-[2-(3,4-ジクロロフェニル)エチル]フェニルアミノ]安息香酸
  • 2-({4-[2-(3,4-ジクロロフェニル)エチル]フェニル}アミノ)安息香酸
  • 2-({4-[2-(3,4-dichlorophenyl)ethyl]phenyl}amino)benzoic acid
Other name (3)：
  • 2-[[4-(3,4-Dichlorophenethyl)phenyl]amino]benzoic acid
  • 2-[4-[2-(3,4-Dichlorophenyl)ethyl]phenylamino]benzoic acid
  • PD-118057
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