Chem
J-GLOBAL ID：200907029135050014   Nikkaji number：J2.452.056K

(4aS)-3-Ethoxy-5-oxo-11-benzyl-1,4aα,5,11,12,12aα-hexahydro-2,6-dioxa-11-azachrysene-4-carbonitrile

(4aS)-3-エトキシ-5-オキソ-11-ベンジル-1,4aα,5,11,12,12aα-ヘキサヒドロ-2,6-ジオキサ-11-アザクリセン-4-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： C25H22N2O4
Molecular formula furigana： C25-H22-N2-O4
Molecular weight： 414.461
InChI： InChI=1S/C25H22N2O4/c1-2-29-25-19(12-26)21-17(15-30-25)14-27(13-16-8-4-3-5-9-16)23-18-10-6-7-11-20(18)31-24(28)22(21)23/h3-11,17,21H,2,13-15H2,1H3/t17-,21-/m0/s1
InChI key： WOUQVQKYIKPFBD-UWJYYQICSA-N
SMILES： CCOC1=C(C#N)[C@@H]2[C@H](CO1)CN(Cc1ccccc1)c1c2c(=O)oc2ccccc12
Systematic name  (3)：
  • (4aS)-3-エトキシ-5-オキソ-11-ベンジル-1,4aα,5,11,12,12aα-ヘキサヒドロ-2,6-ジオキサ-11-アザクリセン-4-カルボニトリル
  • (2S,7S)-9-ベンジル-4-エトキシ-18-オキソ-5,17-ジオキサ-9-アザテトラシクロ[8.8.0.02,7.011,16]オクタデカ-1(10),3,11,13,15-ペンタエン-3-カルボニトリル
  • (2S,7S)-9-benzyl-4-ethoxy-18-oxo-5,17-dioxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),3,11,13,15-pentaene-3-carbonitrile
Other name (1)：
  • (4aS)-3-Ethoxy-5-oxo-11-benzyl-1,4aα,5,11,12,12aα-hexahydro-2,6-dioxa-11-azachrysene-4-carbonitrile
Thsaurus map：
Thesaurus Map

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