Chem
J-GLOBAL ID：200907062299430648   Nikkaji number：J1.968.395H

(R)-2-Phenyl-2-methoxy-3,3,3-trifluoropropionic acid [(1S)-1α-phenyl-1-methyl-1,2,3,4-tetrahydro-β-carboline-3β-yl]methyl ester

(R)-2-フェニル-2-メトキシ-3,3,3-トリフルオロプロピオン酸[(1S)-1α-フェニル-1-メチル-1,2,3,4-テトラヒドロ-β-カルボリン-3β-イル]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： C29H27F3N2O3
Molecular formula furigana： C29-H27-F3-N2-O3
Molecular weight： 508.541
InChI： InChI=1S/C29H27F3N2O3/c1-27(19-11-5-3-6-12-19)25-23(22-15-9-10-16-24(22)33-25)17-21(34-27)18-37-26(35)28(36-2,29(30,31)32)20-13-7-4-8-14-20/h3-16,21,33-34H,17-18H2,1-2H3/t21-,27+,28-/m1/s1
InChI key： MYGGMKWCQBXDML-AOLGGSBGSA-N
SMILES： CO[C@@](C(=O)OC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(N1)c1ccccc1)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • (R)-2-フェニル-2-メトキシ-3,3,3-トリフルオロプロピオン酸[(1S)-1α-フェニル-1-メチル-1,2,3,4-テトラヒドロ-β-カルボリン-3β-イル]メチル
  • [(1S,3R)-1-メチル-1-フェニル-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-3-イル]メチル (2R)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
  • [(1S,3R)-1-methyl-1-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-yl]methyl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • (R)-2-Phenyl-2-methoxy-3,3,3-trifluoropropionic acid [(1S)-1α-phenyl-1-methyl-1,2,3,4-tetrahydro-β-carboline-3β-yl]methyl ester
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