Chem
J-GLOBAL ID：200907094418451143
Nikkaji number：J1.410.652I
Isoquinoline-5-carboxylic acid methyl ester
イソキノリン-5-カルボン酸メチル
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： C11H9NO2
Molecular formula furigana： C11-H9-N-O2
Molecular weight： 187.198
InChI：
InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3
InChI key：
AYIKNXKAUAUIBW-UHFFFAOYSA-N
SMILES：
COC(=O)c1cccc2cnccc12
Systematic name (3)：
- イソキノリン-5-カルボン酸メチル
- メチル イソキノリン-5-カルボキシラート
- methyl isoquinoline-5-carboxylate
- Isoquinoline-5-carboxylic acid methyl ester
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