Chem
J-GLOBAL ID：200907000523127985   Nikkaji number：J1.522.761C

2-(1,2-Dimethyl-1H-indole-3-yl)-2α-(trifluoromethyl)-4-isopropylidene-5-oxotetrahydrofuran-3β-carboxylic acid ethyl ester

2-(1,2-ジメチル-1H-インドール-3-イル)-2α-(トリフルオロメチル)-4-イソプロピリデン-5-オキソテトラヒドロフラン-3β-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： C21H22F3NO4
Molecular formula furigana： C21-H22-F3-N-O4
Molecular weight： 409.405
InChI： InChI=1S/C21H22F3NO4/c1-6-28-19(27)17-15(11(2)3)18(26)29-20(17,21(22,23)24)16-12(4)25(5)14-10-8-7-9-13(14)16/h7-10,17H,6H2,1-5H3/t17-,20+/m1/s1
InChI key： SACCMNYEYAPVGU-XLIONFOSSA-N
SMILES： CCOC(=O)[C@H]1C(=C(C)C)C(=O)O[C@]1(c1c(C)n(C)c2ccccc12)C(F)(F)F
Systematic name  (3)：
  • 2-(1,2-ジメチル-1H-インドール-3-イル)-2α-(トリフルオロメチル)-4-イソプロピリデン-5-オキソテトラヒドロフラン-3β-カルボン酸エチル
  • エチル (2R,3S)-2-(1,2-ジメチル-1H-インドール-3-イル)-5-オキソ-4-(プロパン-2-イリデン)-2-(トリフルオロメチル)オキソラン-3-カルボキシラート
  • ethyl (2R,3S)-2-(1,2-dimethyl-1H-indol-3-yl)-5-oxo-4-(propan-2-ylidene)-2-(trifluoromethyl)oxolane-3-carboxylate
Other name (1)：
  • 2-(1,2-Dimethyl-1H-indole-3-yl)-2α-(trifluoromethyl)-4-isopropylidene-5-oxotetrahydrofuran-3β-carboxylic acid ethyl ester
Thsaurus map：
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