Chem
J-GLOBAL ID：200907038036975633   Nikkaji number：J1.786.295B

Ro-116-0086

2,3-ジヒドロ-1,4-ベンゾジオキシン-5-カルボン酸1-ブチル-4-ピペリジニルメチル
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： C19H27NO4
Molecular formula furigana： C19-H27-N-O4
Molecular weight： 333.428
InChI： InChI=1S/C19H27NO4/c1-2-3-9-20-10-7-15(8-11-20)14-24-19(21)16-5-4-6-17-18(16)23-13-12-22-17/h4-6,15H,2-3,7-14H2,1H3
InChI key： YGXXLNHVBNARBP-UHFFFAOYSA-N
SMILES： CCCCN1CCC(COC(=O)c2cccc3OCCOc23)CC1
Systematic name  (3)：
  • 2,3-ジヒドロ-1,4-ベンゾジオキシン-5-カルボン酸1-ブチル-4-ピペリジニルメチル
  • (1-ブチルピペリジン-4-イル)メチル 2,3-ジヒドロ-1,4-ベンゾジオキシン-5-カルボキシラート
  • (1-butylpiperidin-4-yl)methyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
Other name (2)：
  • 2,3-Dihydro-1,4-benzodioxin-5-carboxylic acid 1-butyl-4-piperidinylmethyl ester
  • Ro-116-0086
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