Chem
J-GLOBAL ID：200907062906255893
Nikkaji number：J360.194C
(4R)-6β-[2-[6-Chloro-2-isopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-tetrahydro-4α-hydroxy-2H-pyran-2-one
(4R,6S)-6-{2-[6-クロロ-4-(4-フルオロフェニル)-2-(プロパン-2-イル)キノリン-3-イル]エテニル}-4-ヒドロキシオキサン-2-オン
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
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
Molecular formula： C25H23ClFNO3
Molecular formula furigana： C25-H23-CL-F-N-O3
Molecular weight： 439.910
InChI：
InChI=1S/C25H23ClFNO3/c1-14(2)25-20(9-8-19-12-18(29)13-23(30)31-19)24(15-3-6-17(27)7-4-15)21-11-16(26)5-10-22(21)28-25/h3-11,14,18-19,29H,12-13H2,1-2H3/t18-,19-/m1/s1
InChI key：
FRJJJAKBRKABFA-RTBURBONSA-N
SMILES：
CC(C)c1nc2ccc(Cl)cc2c(c2ccc(F)cc2)c1C=C[C@@H]1C[C@@H](O)CC(=O)O1
Systematic name (3)：
- (4R)-6β-[2-[6-クロロ-2-イソプロピル-4-(4-フルオロフェニル)-3-キノリニル]エテニル]-テトラヒドロ-4α-ヒドロキシ-2H-ピラン-2-オン
- (4R,6S)-6-{2-[6-クロロ-4-(4-フルオロフェニル)-2-(プロパン-2-イル)キノリン-3-イル]エテニル}-4-ヒドロキシオキサン-2-オン
- (4R,6S)-6-{2-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]ethenyl}-4-hydroxyoxan-2-one
- (4R)-6β-[2-[6-Chloro-2-isopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-tetrahydro-4α-hydroxy-2H-pyran-2-one
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