Chem
J-GLOBAL ID：200907002454096820   Nikkaji number：J597.729K

1,3,5-Trimethyl-5-[(phenethylamino)carbonyl]cyclohexane-1,3-dicarboxylic acid 1-methyl ester

1,3,5-トリメチル-5-[(フェネチルアミノ)カルボニル]シクロヘキサン-1,3-ジカルボン酸1-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： C21H29NO5
Molecular formula furigana： C21-H29-N-O5
Molecular weight： 375.465
InChI： InChI=1S/C21H29NO5/c1-19(16(23)22-11-10-15-8-6-5-7-9-15)12-20(2,17(24)25)14-21(3,13-19)18(26)27-4/h5-9H,10-14H2,1-4H3,(H,22,23)(H,24,25)
InChI key： DATQIWSAILWCNA-UHFFFAOYSA-N
SMILES： COC(=O)C1(C)CC(C)(CC(C)(C1)C(=O)NCCc1ccccc1)C(=O)O
Systematic name  (3)：
  • 1,3,5-トリメチル-5-[(フェネチルアミノ)カルボニル]シクロヘキサン-1,3-ジカルボン酸1-メチル
  • 3-(メトキシカルボニル)-1,3,5-トリメチル-5-[(2-フェニルエチル)カルバモイル]シクロヘキサン-1-カルボン酸
  • 3-(methoxycarbonyl)-1,3,5-trimethyl-5-[(2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
Other name (1)：
  • 1,3,5-Trimethyl-5-[(phenethylamino)carbonyl]cyclohexane-1,3-dicarboxylic acid 1-methyl ester
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