Chem
J-GLOBAL ID：200907091649781490   Nikkaji number：J912.811E

(4S)-4β-[2-(Benzyloxy)ethyl]-5α-formyl-2-pyrazoline-1-carboxylic acid ethyl ester

(4S)-4β-[2-(ベンジルオキシ)エチル]-5α-ホルミル-2-ピラゾリン-1-カルボン酸エチル
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： C16H20N2O4
Molecular formula furigana： C16-H20-N2-O4
Molecular weight： 304.346
InChI： InChI=1S/C16H20N2O4/c1-2-22-16(20)18-15(11-19)14(10-17-18)8-9-21-12-13-6-4-3-5-7-13/h3-7,10-11,14-15H,2,8-9,12H2,1H3/t14-,15+/m1/s1
InChI key： CAMOXNBWQFDPNJ-CABCVRRESA-N
SMILES： CCOC(=O)N1N=C[C@@H](CCOCc2ccccc2)[C@@H]1C=O
Systematic name  (3)：
  • (4S)-4β-[2-(ベンジルオキシ)エチル]-5α-ホルミル-2-ピラゾリン-1-カルボン酸エチル
  • エチル (4S,5R)-4-[2-(ベンジルオキシ)エチル]-5-ホルミル-4,5-ジヒドロ-1H-ピラゾール-1-カルボキシラート
  • ethyl (4S,5R)-4-[2-(benzyloxy)ethyl]-5-formyl-4,5-dihydro-1H-pyrazole-1-carboxylate
Other name (1)：
  • (4S)-4β-[2-(Benzyloxy)ethyl]-5α-formyl-2-pyrazoline-1-carboxylic acid ethyl ester
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