Chem
J-GLOBAL ID：200907022350622067   Nikkaji number：J2.738.412I

2-[1,3-Dihydroisobenzofuran-4-ylmethylisopentylamino]-2-butenedioic acid dimethyl ester

2-[1,3-ジヒドロイソベンゾフラン-4-イルメチルイソペンチルアミノ]-2-ブテン二酸ジメチル
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： C20H27NO5
Molecular formula furigana： C20-H27-N-O5
Molecular weight： 361.438
InChI： InChI=1S/C20H27NO5/c1-14(2)8-9-21(18(20(23)25-4)10-19(22)24-3)11-15-6-5-7-16-12-26-13-17(15)16/h5-7,10,14H,8-9,11-13H2,1-4H3
InChI key： HJESCCAJMGRNHE-UHFFFAOYSA-N
SMILES： COC(=O)C=C(N(CCC(C)C)Cc1cccc2COCc12)C(=O)OC
Systematic name  (3)：
  • 2-[1,3-ジヒドロイソベンゾフラン-4-イルメチルイソペンチルアミノ]-2-ブテン二酸ジメチル
  • 1,4-ジメチル 2-{[(1,3-ジヒドロ-2-ベンゾフラン-4-イル)メチル](3-メチルブチル)アミノ}ブタ-2-エンジオアート
  • 1,4-dimethyl 2-{[(1,3-dihydro-2-benzofuran-4-yl)methyl](3-methylbutyl)amino}but-2-enedioate
Other name (1)：
  • 2-[1,3-Dihydroisobenzofuran-4-ylmethylisopentylamino]-2-butenedioic acid dimethyl ester
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