Chem
J-GLOBAL ID：201707003738835354   Nikkaji number：J3.620.680B

3-[[(8S,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[3,5-bis(trifluoromethyl)benzyl]-3-cyclobutene-1,2-dione

3-[[(8S,9S)-6′-メトキシシンコナン-9-イル]アミノ]-4-[3,5-ビス(トリフルオロメチル)ベンジル]-3-シクロブテン-1,2-ジオン
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： C33H29F6N3O3
Molecular formula furigana： C33-H29-F6-N3-O3
Molecular weight： 629.603
InChI： InChI=1S/C33H29F6N3O3/c1-3-18-16-42-9-7-19(18)13-27(42)28(23-6-8-40-26-5-4-22(45-2)15-24(23)26)41-29-25(30(43)31(29)44)12-17-10-20(32(34,35)36)14-21(11-17)33(37,38)39/h3-6,8,10-11,14-15,18-19,27-28,41H,1,7,9,12-13,16H2,2H3/t18-,19-,27-,28-/m0/s1
InChI key： KLBMBSQHOVRIKZ-HVYZTVOGSA-N
SMILES： COc1ccc2nccc([C@H](NC3=C(Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F)C(=O)C3=O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Systematic name  (3)：
  • 3-[[(8S,9S)-6′-メトキシシンコナン-9-イル]アミノ]-4-[3,5-ビス(トリフルオロメチル)ベンジル]-3-シクロブテン-1,2-ジオン
  • 3-{[3,5-ビス(トリフルオロメチル)フェニル]メチル}-4-{[(S)-[(2S,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](6-メトキシキノリン-4-イル)メチル]アミノ}シクロブタ-3-エン-1,2-ジオン
  • 3-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-{[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]amino}cyclobut-3-ene-1,2-dione
Other name (1)：
  • 3-[[(8S,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[3,5-bis(trifluoromethyl)benzyl]-3-cyclobutene-1,2-dione
Thsaurus map：
Thesaurus Map

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