Chem
J-GLOBAL ID:200907094737505442   Nikkaji number:J771.087I

(3S,4R)-1-(1,3-Benzodioxol-5-yl)-3-(3-phenylpropyl)-4-(4-methoxyphenyl)-2-azetidinone

(3S,4R)-1-(1,3-ベンゾジオキソール-5-イル)-3-(3-フェニルプロピル)-4-(4-メトキシフェニル)-2-アゼチジノン
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: C26H25NO4
Molecular formula furigana: C26-H25-N-O4
Molecular weight: 415.489
InChI: InChI=1S/C26H25NO4/c1-29-21-13-10-19(11-14-21)25-22(9-5-8-18-6-3-2-4-7-18)26(28)27(25)20-12-15-23-24(16-20)31-17-30-23/h2-4,6-7,10-16,22,25H,5,8-9,17H2,1H3/t22-,25-/m0/s1
InChI key: QLMSWKQNACNDBA-DHLKQENFSA-N
SMILES: COc1ccc(cc1)[C@H]1[C@H](CCCc2ccccc2)C(=O)N1c1ccc2OCOc2c1
Systematic name  (3):
  • (3S,4R)-1-(1,3-ベンゾジオキソール-5-イル)-3-(3-フェニルプロピル)-4-(4-メトキシフェニル)-2-アゼチジノン
  • (3S,4R)-1-(2H-1,3-ベンゾジオキソール-5-イル)-4-(4-メトキシフェニル)-3-(3-フェニルプロピル)アゼチジン-2-オン
  • (3S,4R)-1-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
Other name (1):
  • (3S,4R)-1-(1,3-Benzodioxol-5-yl)-3-(3-phenylpropyl)-4-(4-methoxyphenyl)-2-azetidinone
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