Chem
J-GLOBAL ID:200907017526485726   Nikkaji number:J1.664.617B

Butyric acid (2S)-2-hydroxy-3-(N-methyl-2-bromoanilino)propyl ester

酪酸(2S)-2-ヒドロキシ-3-(N-メチル-2-ブロモアニリノ)プロピル
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: C14H20BrNO3
Molecular formula furigana: C14-H20-BR-N-O3
Molecular weight: 330.222
InChI: InChI=1S/C14H20BrNO3/c1-3-6-14(18)19-10-11(17)9-16(2)13-8-5-4-7-12(13)15/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3/t11-/m0/s1
InChI key: IALGCBPQIYYIGL-NSHDSACASA-N
SMILES: CCCC(=O)OC[C@@H](O)CN(C)c1ccccc1Br
Systematic name  (3):
  • 酪酸(2S)-2-ヒドロキシ-3-(N-メチル-2-ブロモアニリノ)プロピル
  • (2S)-3-[(2-ブロモフェニル)(メチル)アミノ]-2-ヒドロキシプロピル ブタノアート
  • (2S)-3-[(2-bromophenyl)(methyl)amino]-2-hydroxypropyl butanoate
Other name (1):
  • Butyric acid (2S)-2-hydroxy-3-(N-methyl-2-bromoanilino)propyl ester
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