Chem
J-GLOBAL ID:200907049375309989   Nikkaji number:J1.907.537K

(2R)-2α-[[(R)-α-Methyl-3,5-bis(trifluoromethyl)benzyl]oxy]-3α-(4-fluorophenyl)-4-[4-(diethylamino)-4-hydroxy-2-butynyl]morpholine

(2R)-2α-[[(R)-α-メチル-3,5-ビス(トリフルオロメチル)ベンジル]オキシ]-3α-(4-フルオロフェニル)-4-[4-(ジエチルアミノ)-4-ヒドロキシ-2-ブチニル]モルホリン
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: C28H31F7N2O3
Molecular formula furigana: C28-H31-F7-N2-O3
Molecular weight: 576.556
InChI: InChI=1S/C28H31F7N2O3/c1-4-36(5-2)24(38)7-6-12-37-13-14-39-26(25(37)19-8-10-23(29)11-9-19)40-18(3)20-15-21(27(30,31)32)17-22(16-20)28(33,34)35/h8-11,15-18,24-26,38H,4-5,12-14H2,1-3H3/t18-,24?,25+,26-/m1/s1
InChI key: CNQTVEFTVOKZRJ-YCXBNHCTSA-N
SMILES: CCN(CC)C(O)C#CCN1CCO[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccc(F)cc1
Systematic name  (3):
  • (2R)-2α-[[(R)-α-メチル-3,5-ビス(トリフルオロメチル)ベンジル]オキシ]-3α-(4-フルオロフェニル)-4-[4-(ジエチルアミノ)-4-ヒドロキシ-2-ブチニル]モルホリン
  • 4-[(2R,3S)-2-[(1R)-1-[3,5-ビス(トリフルオロメチル)フェニル]エトキシ]-3-(4-フルオロフェニル)モルホリン-4-イル]-1-(ジエチルアミノ)ブタ-2-イン-1-オール
  • 4-[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]-1-(diethylamino)but-2-yn-1-ol
Other name (1):
  • (2R)-2α-[[(R)-α-Methyl-3,5-bis(trifluoromethyl)benzyl]oxy]-3α-(4-fluorophenyl)-4-[4-(diethylamino)-4-hydroxy-2-butynyl]morpholine
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