Chem
J-GLOBAL ID:200907008453358616   Nikkaji number:J2.328.913J

4-Chloro-1H-indole-3-acetic acid (S)-1-methyl-2-oxo-2-pentoxyethyl ester

4-クロロ-1H-インドール-3-酢酸(S)-1-メチル-2-オキソ-2-ペントキシエチル
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: C18H22ClNO4
Molecular formula furigana: C18-H22-CL-N-O4
Molecular weight: 351.830
InChI: InChI=1S/C18H22ClNO4/c1-3-4-5-9-23-18(22)12(2)24-16(21)10-13-11-20-15-8-6-7-14(19)17(13)15/h6-8,11-12,20H,3-5,9-10H2,1-2H3/t12-/m0/s1
InChI key: ACAMSMHUDQUXMU-LBPRGKRZSA-N
SMILES: CCCCCOC(=O)[C@H](C)OC(=O)Cc1c[nH]c2cccc(Cl)c12
Systematic name  (3):
  • 4-クロロ-1H-インドール-3-酢酸(S)-1-メチル-2-オキソ-2-ペントキシエチル
  • ペンチル (2S)-2-{[2-(4-クロロ-1H-インドール-3-イル)アセチル]オキシ}プロパノアート
  • pentyl (2S)-2-{[2-(4-chloro-1H-indol-3-yl)acetyl]oxy}propanoate
Other name (1):
  • 4-Chloro-1H-indole-3-acetic acid (S)-1-methyl-2-oxo-2-pentoxyethyl ester
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