Chem
J-GLOBAL ID:200907026811804010   Nikkaji number:J1.555.709E

(αS,βR)-α-Ethyl-β-(1-oxobutoxymethyl)-1H-imidazole-5-butanoic acid benzyl ester

(αS,βR)-α-エチル-β-(1-オキソブトキシメチル)-1H-イミダゾール-5-ブタン酸ベンジル
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: C21H28N2O4
Molecular formula furigana: C21-H28-N2-O4
Molecular weight: 372.465
InChI: InChI=1S/C21H28N2O4/c1-3-8-20(24)26-14-17(11-18-12-22-15-23-18)19(4-2)21(25)27-13-16-9-6-5-7-10-16/h5-7,9-10,12,15,17,19H,3-4,8,11,13-14H2,1-2H3,(H,22,23)/t17-,19-/m0/s1
InChI key: OIRUTQONYZDTRY-HKUYNNGSSA-N
SMILES: CCCC(=O)OC[C@H](Cc1cnc[nH]1)[C@H](CC)C(=O)OCc1ccccc1
Systematic name  (3):
  • (αS,βR)-α-エチル-β-(1-オキソブトキシメチル)-1H-イミダゾール-5-ブタン酸ベンジル
  • ベンジル (2S,3R)-4-(ブタノイルオキシ)-2-エチル-3-[(1H-イミダゾール-5-イル)メチル]ブタノアート
  • benzyl (2S,3R)-4-(butanoyloxy)-2-ethyl-3-[(1H-imidazol-5-yl)methyl]butanoate
Other name (1):
  • (αS,βR)-α-Ethyl-β-(1-oxobutoxymethyl)-1H-imidazole-5-butanoic acid benzyl ester
CAS registry number: 106848-84-4
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