Chem
J-GLOBAL ID：200907000720793245   Nikkaji number：J2.667.027F

3-Iodo-4-[(1R)-1-phenyl-3-hydroxypropyl]benzoic acid methyl ester

3-ヨード-4-[(1R)-1-フェニル-3-ヒドロキシプロピル]安息香酸メチル
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： C17H17IO3
Molecular formula furigana： C17-H17-I-O3
Molecular weight： 396.224
InChI： InChI=1S/C17H17IO3/c1-21-17(20)13-7-8-15(16(18)11-13)14(9-10-19)12-5-3-2-4-6-12/h2-8,11,14,19H,9-10H2,1H3/t14-/m1/s1
InChI key： GRSCHXVAQMGTHC-CQSZACIVSA-N
SMILES： COC(=O)c1ccc([C@H](CCO)c2ccccc2)c(I)c1
Systematic name  (3)：
  • 3-ヨード-4-[(1R)-1-フェニル-3-ヒドロキシプロピル]安息香酸メチル
  • メチル 4-[(1R)-3-ヒドロキシ-1-フェニルプロピル]-3-ヨードベンゾアート
  • methyl 4-[(1R)-3-hydroxy-1-phenylpropyl]-3-iodobenzoate
Other name (1)：
  • 3-Iodo-4-[(1R)-1-phenyl-3-hydroxypropyl]benzoic acid methyl ester
Thsaurus map：
Thesaurus Map

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