Chem
J-GLOBAL ID：200907008674056509
Nikkaji number：J1.477.087I
1-(4-Bromo-1,3-benzodioxole-5-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
1-(4-ブロモ-1,3-ベンゾジオキソール-5-イルメチル)-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-カルボン酸エチル
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： C22H24BrNO6
Molecular formula furigana： C22-H24-BR-N-O6
Molecular weight： 478.339
InChI：
InChI=1S/C22H24BrNO6/c1-4-28-22(25)24-8-7-13-10-18(26-2)19(27-3)11-15(13)16(24)9-14-5-6-17-21(20(14)23)30-12-29-17/h5-6,10-11,16H,4,7-9,12H2,1-3H3
InChI key：
XSEDELBWVPIIRY-UHFFFAOYSA-N
SMILES：
CCOC(=O)N1CCc2cc(OC)c(OC)cc2C1Cc1ccc2OCOc2c1Br
Systematic name (3)：
- 1-(4-ブロモ-1,3-ベンゾジオキソール-5-イルメチル)-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-カルボン酸エチル
- エチル 1-[(4-ブロモ-2H-1,3-ベンゾジオキソール-5-イル)メチル]-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-カルボキシラート
- ethyl 1-[(4-bromo-2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
- 1-(4-Bromo-1,3-benzodioxole-5-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
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