Chem
J-GLOBAL ID：200907062317348555   Nikkaji number：J1.139.358F

Benzoic acid [1-methyl-2-(3-methylisoxazole-5-yl)pyrrolidine-2α-ylmethyl] ester

安息香酸[1-メチル-2-(3-メチルイソオキサゾール-5-イル)ピロリジン-2α-イルメチル]
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： C17H20N2O3
Molecular formula furigana： C17-H20-N2-O3
Molecular weight： 300.358
InChI： InChI=1S/C17H20N2O3/c1-13-11-15(22-18-13)17(9-6-10-19(17)2)12-21-16(20)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3/t17-/m0/s1
InChI key： BALAOFCRKCYUAG-KRWDZBQOSA-N
SMILES： CN1CCC[C@]1(COC(=O)c1ccccc1)c1cc(C)no1
Systematic name  (3)：
  • 安息香酸[1-メチル-2-(3-メチルイソオキサゾール-5-イル)ピロリジン-2α-イルメチル]
  • [(2S)-1-メチル-2-(3-メチル-1,2-オキサゾール-5-イル)ピロリジン-2-イル]メチル ベンゾアート
  • [(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-yl]methyl benzoate
Other name (1)：
  • Benzoic acid [1-methyl-2-(3-methylisoxazole-5-yl)pyrrolidine-2α-ylmethyl] ester
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