Chem
J-GLOBAL ID：200907040305579540   Nikkaji number：J2.241.656A

3-(Triphenylacetylamino)-4-fluoro-5-aminobenzoic acid methyl ester

3-(トリフェニルアセチルアミノ)-4-フルオロ-5-アミノ安息香酸メチル
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： C28H23FN2O3
Molecular formula furigana： C28-H23-F-N2-O3
Molecular weight： 454.501
InChI： InChI=1S/C28H23FN2O3/c1-34-26(32)19-17-23(30)25(29)24(18-19)31-27(33)28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,30H2,1H3,(H,31,33)
InChI key： BGEJPRLWQSTQMN-UHFFFAOYSA-N
SMILES： COC(=O)c1cc(N)c(F)c(NC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
Systematic name  (3)：
  • 3-(トリフェニルアセチルアミノ)-4-フルオロ-5-アミノ安息香酸メチル
  • メチル 3-アミノ-4-フルオロ-5-(2,2,2-トリフェニルアセトアミド)ベンゾアート
  • methyl 3-amino-4-fluoro-5-(2,2,2-triphenylacetamido)benzoate
Other name (1)：
  • 3-(Triphenylacetylamino)-4-fluoro-5-aminobenzoic acid methyl ester
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