Chem
J-GLOBAL ID：200907094681235447   Nikkaji number：J2.612.350J

(3aS)-1,5-Bis(trifluoroacetyl)-4α-(3-hydroxypropyl)-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester

(3aS)-1,5-ビス(トリフルオロアセチル)-4α-(3-ヒドロキシプロピル)-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン-8-カルボン酸メチル
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： C20H20F6N2O5
Molecular formula furigana： C20-H20-F6-N2-O5
Molecular weight： 482.379
InChI： InChI=1S/C20H20F6N2O5/c1-33-16(30)10-4-5-14-12(9-10)15-11(6-7-27(15)17(31)19(21,22)23)13(3-2-8-29)28(14)18(32)20(24,25)26/h4-5,9,11,13,15,29H,2-3,6-8H2,1H3/t11-,13-,15-/m0/s1
InChI key： XYHKVGFZSLYABR-WHOFXGATSA-N
SMILES： COC(=O)c1ccc2N([C@@H](CCCO)[C@@H]3CCN([C@@H]3c2c1)C(=O)C(F)(F)F)C(=O)C(F)(F)F
Systematic name  (3)：
  • (3aS)-1,5-ビス(トリフルオロアセチル)-4α-(3-ヒドロキシプロピル)-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン-8-カルボン酸メチル
  • メチル (3aS,4S,9bS)-4-(3-ヒドロキシプロピル)-1,5-ビス(2,2,2-トリフルオロアセチル)-1H,2H,3H,3aH,4H,5H,9bH-ピロロ[3,2-c]キノリン-8-カルボキシラート
  • methyl (3aS,4S,9bS)-4-(3-hydroxypropyl)-1,5-bis(2,2,2-trifluoroacetyl)-1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,2-c]quinoline-8-carboxylate
Other name (1)：
  • (3aS)-1,5-Bis(trifluoroacetyl)-4α-(3-hydroxypropyl)-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxylic acid methyl ester
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