Chem
J-GLOBAL ID：200907052322493673   Nikkaji number：J1.459.212A

(2S)-N-[3,5-Bis(trifluoromethyl)phenyl]-1-(tert-butoxycarbonyl)indoline-2α-carboxamide

(2S)-N-[3,5-ビス(トリフルオロメチル)フェニル]-1-(tert-ブトキシカルボニル)インドリン-2α-カルボアミド
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： C22H20F6N2O3
Molecular formula furigana： C22-H20-F6-N2-O3
Molecular weight： 474.403
InChI： InChI=1S/C22H20F6N2O3/c1-20(2,3)33-19(32)30-16-7-5-4-6-12(16)8-17(30)18(31)29-15-10-13(21(23,24)25)9-14(11-15)22(26,27)28/h4-7,9-11,17H,8H2,1-3H3,(H,29,31)/t17-/m0/s1
InChI key： QCFHTPLIUGZISX-KRWDZBQOSA-N
SMILES： CC(C)(C)OC(=O)N1[C@@H](Cc2ccccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • (2S)-N-[3,5-ビス(トリフルオロメチル)フェニル]-1-(tert-ブトキシカルボニル)インドリン-2α-カルボアミド
  • tert-ブチル (2S)-2-{[3,5-ビス(トリフルオロメチル)フェニル]カルバモイル}-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-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-2,3-dihydro-1H-indole-1-carboxylate
Other name (1)：
  • (2S)-N-[3,5-Bis(trifluoromethyl)phenyl]-1-(tert-butoxycarbonyl)indoline-2α-carboxamide
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