Chem
J-GLOBAL ID:200907050946259540   Nikkaji number:J2.293.408B

2-Hydroxy-2-[5-(methoxycarbonyl)-1H-indole-3-yl]-3,3,3-trifluoropropionic acid methyl ester

2-ヒドロキシ-2-[5-(メトキシカルボニル)-1H-インドール-3-イル]-3,3,3-トリフルオロプロピオン酸メチル
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: C14H12F3NO5
Molecular formula furigana: C14-H12-F3-N-O5
Molecular weight: 331.247
InChI: InChI=1S/C14H12F3NO5/c1-22-11(19)7-3-4-10-8(5-7)9(6-18-10)13(21,12(20)23-2)14(15,16)17/h3-6,18,21H,1-2H3
InChI key: QWRSTOCHDUQLNH-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc2[nH]cc(c2c1)C(O)(C(=O)OC)C(F)(F)F
Systematic name  (3):
  • 2-ヒドロキシ-2-[5-(メトキシカルボニル)-1H-インドール-3-イル]-3,3,3-トリフルオロプロピオン酸メチル
  • メチル 3-(1,1,1-トリフルオロ-2-ヒドロキシ-3-メトキシ-3-オキソプロパン-2-イル)-1H-インドール-5-カルボキシラート
  • methyl 3-(1,1,1-trifluoro-2-hydroxy-3-methoxy-3-oxopropan-2-yl)-1H-indole-5-carboxylate
Other name (1):
  • 2-Hydroxy-2-[5-(methoxycarbonyl)-1H-indole-3-yl]-3,3,3-trifluoropropionic acid methyl ester
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