Chem
J-GLOBAL ID：200907056027690187
Nikkaji number：J2.093.069A
(2S)-2-[(E)-3,3,3-Trifluoro-1-propenyl]-2,3-dihydro-1H-indole-1-carboxylic acid tert-butyl ester
(2S)-2-[(E)-3,3,3-トリフルオロ-1-プロペニル]-2,3-ジヒドロ-1H-インドール-1-カルボン酸tert-ブチル
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
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
Molecular formula： C16H18F3NO2
Molecular formula furigana： C16-H18-F3-N-O2
Molecular weight： 313.320
InChI：
InChI=1S/C16H18F3NO2/c1-15(2,3)22-14(21)20-12(8-9-16(17,18)19)10-11-6-4-5-7-13(11)20/h4-9,12H,10H2,1-3H3/b9-8+/t12-/m1/s1
InChI key：
XGZIFELCKHUKBZ-IDVQTMNDSA-N
SMILES：
CC(C)(C)OC(=O)N1[C@@H](Cc2ccccc12)/C=C/C(F)(F)F
Systematic name (3)：
- (2S)-2-[(E)-3,3,3-トリフルオロ-1-プロペニル]-2,3-ジヒドロ-1H-インドール-1-カルボン酸tert-ブチル
- tert-ブチル (2S)-2-[(1E)-3,3,3-トリフルオロプロパ-1-エン-1-イル]-2,3-ジヒドロ-1H-インドール-1-カルボキシラート
- tert-butyl (2S)-2-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-2,3-dihydro-1H-indole-1-carboxylate
- (2S)-2-[(E)-3,3,3-Trifluoro-1-propenyl]-2,3-dihydro-1H-indole-1-carboxylic acid tert-butyl ester
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