Chem
J-GLOBAL ID：201107058045766787   Nikkaji number：J2.956.702F

3-Bromo-5-ethynylbenzoic acid 4-(methyl 3,5-dimethylbenzylaminomethyl)benzyl ester

3-ブロモ-5-エチニル安息香酸4-(メチル3,5-ジメチルベンジルアミノメチル)ベンジル
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： C27H26BrNO2
Molecular formula furigana： C27-H26-BR-N-O2
Molecular weight： 476.414
InChI： InChI=1S/C27H26BrNO2/c1-5-21-13-25(15-26(28)14-21)27(30)31-18-23-8-6-22(7-9-23)16-29(4)17-24-11-19(2)10-20(3)12-24/h1,6-15H,16-18H2,2-4H3
InChI key： MXIPFVMCKRWHKA-UHFFFAOYSA-N
SMILES： CN(Cc1ccc(COC(=O)c2cc(Br)cc(c2)C#C)cc1)Cc1cc(C)cc(C)c1
Systematic name  (5)：
  • 3-ブロモ-5-エチニル安息香酸4-(メチル3,5-ジメチルベンジルアミノメチル)ベンジル
  • 3-ブロモ-5-エチニル安息香酸4-[[メチル(3,5-ジメチルベンジル)アミノ]メチル]ベンジル
  • 3-エチニル-5-ブロモ安息香酸4-(メチル(3,5-ジメチルベンジル)アミノメチル)ベンジル
  • [4-({[(3,5-ジメチルフェニル)メチル](メチル)アミノ}メチル)フェニル]メチル 3-ブロモ-5-エチニルベンゾアート
  • [4-({[(3,5-dimethylphenyl)methyl](methyl)amino}methyl)phenyl]methyl 3-bromo-5-ethynylbenzoate
Other name (3)：
  • 3-Bromo-5-ethynylbenzoic acid 4-(methyl 3,5-dimethylbenzylaminomethyl)benzyl ester
  • 3-Bromo-5-ethynylbenzoic acid 4-[[methyl(3,5-dimethylbenzyl)amino]methyl]benzyl ester
  • 3-Ethynyl-5-bromobenzoic acid 4-(methyl(3,5-dimethylbenzyl)aminomethyl)benzyl ester
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