Chem
J-GLOBAL ID：200907024016507802   Nikkaji number：J2.081.160I

(2S,3S,4S)-1-(4-Methoxybenzyl)-3,4-(isopropylidenedioxy)-5-oxopyrrolidine-2-carbonitrile

(2S,3S,4S)-1-(4-メトキシベンジル)-3,4-(イソプロピリデンジオキシ)-5-オキソピロリジン-2-カルボニトリル
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： C16H18N2O4
Molecular formula furigana： C16-H18-N2-O4
Molecular weight： 302.330
InChI： InChI=1S/C16H18N2O4/c1-16(2)21-13-12(8-17)18(15(19)14(13)22-16)9-10-4-6-11(20-3)7-5-10/h4-7,12-14H,9H2,1-3H3/t12-,13-,14-/m0/s1
InChI key： XUBQBABZFBHOLN-IHRRRGAJSA-N
SMILES： COc1ccc(CN2[C@@H](C#N)[C@@H]3OC(C)(C)O[C@@H]3C2=O)cc1
Systematic name  (4)：
  • (2S,3S,4S)-1-(4-メトキシベンジル)-3,4-(イソプロピリデンジオキシ)-5-オキソピロリジン-2-カルボニトリル
  • (3aβ,6aβ)-2,2-ジメチル-5-(4-メトキシベンジル)-6β-シアノテトラヒドロ-5H-1,3-ジオキソロ[4,5-c]ピロール-4-オン
  • (3aS,4S,6aS)-5-[(4-メトキシフェニル)メチル]-2,2-ジメチル-6-オキソ-ヘキサヒドロ-[1,3]ジオキソロ[4,5-c]ピロール-4-カルボニトリル
  • (3aS,4S,6aS)-5-[(4-methoxyphenyl)methyl]-2,2-dimethyl-6-oxo-hexahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carbonitrile
Other name (2)：
  • (2S,3S,4S)-1-(4-Methoxybenzyl)-3,4-(isopropylidenedioxy)-5-oxopyrrolidine-2-carbonitrile
  • (3aβ,6aβ)-2,2-Dimethyl-5-(4-methoxybenzyl)-6β-cyanotetrahydro-5H-1,3-dioxolo[4,5-c]pyrrole-4-one
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