Chem
J-GLOBAL ID：200907034104082736   Nikkaji number：J483.633B

L-691831

2,2-ジメチル-3-[5-[(キノリン-2-イル)メトキシ]-1-(4-ヨードベンジル)-3-(3,3-ジメチルブチリル)-1H-インドール-2-イル]プロパン酸
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： C36H37IN2O4
Molecular formula furigana： C36-H37-I-N2-O4
Molecular weight： 688.606
InChI： InChI=1S/C36H37IN2O4/c1-35(2,3)20-32(40)33-28-18-27(43-22-26-15-12-24-8-6-7-9-29(24)38-26)16-17-30(28)39(21-23-10-13-25(37)14-11-23)31(33)19-36(4,5)34(41)42/h6-18H,19-22H2,1-5H3,(H,41,42)
InChI key： VRDARPDCOSVXDY-UHFFFAOYSA-N
SMILES： CC(C)(C)CC(=O)c1c(CC(C)(C)C(=O)O)n(Cc2ccc(I)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Systematic name  (3)：
  • 2,2-ジメチル-3-[5-[(キノリン-2-イル)メトキシ]-1-(4-ヨードベンジル)-3-(3,3-ジメチルブチリル)-1H-インドール-2-イル]プロパン酸
  • 3-[3-(3,3-ジメチルブタノイル)-1-[(4-ヨードフェニル)メチル]-5-[(キノリン-2-イル)メトキシ]-1H-インドール-2-イル]-2,2-ジメチルプロパン酸
  • 3-[3-(3,3-dimethylbutanoyl)-1-[(4-iodophenyl)methyl]-5-[(quinolin-2-yl)methoxy]-1H-indol-2-yl]-2,2-dimethylpropanoic acid
Other name (2)：
  • L-691831
  • 2,2-Dimethyl-3-[5-[(quinolin-2-yl)methoxy]-1-(4-iodobenzyl)-3-(3,3-dimethylbutyryl)-1H-indol-2-yl]propanoic acid
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