Chem
J-GLOBAL ID：200907078435529444   Nikkaji number：J580.331D

3α-(2,4,5-Tricyanophenyl)cyclopentane-1β-acetic acid 2-hydroxyethyl ester

3α-(2,4,5-トリシアノフェニル)シクロペンタン-1β-酢酸2-ヒドロキシエチル
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： C18H17N3O3
Molecular formula furigana： C18-H17-N3-O3
Molecular weight： 323.352
InChI： InChI=1S/C18H17N3O3/c19-9-14-7-16(11-21)17(8-15(14)10-20)13-2-1-12(5-13)6-18(23)24-4-3-22/h7-8,12-13,22H,1-6H2/t12-,13-/m1/s1
InChI key： OLPFRIPHPYQIDS-CHWSQXEVSA-N
SMILES： OCCOC(=O)C[C@@H]1CC[C@H](C1)c1cc(C#N)c(cc1C#N)C#N
Systematic name  (3)：
  • 3α-(2,4,5-トリシアノフェニル)シクロペンタン-1β-酢酸2-ヒドロキシエチル
  • 2-ヒドロキシエチル 2-[(1R,3R)-3-(2,4,5-トリシアノフェニル)シクロペンチル]アセタート
  • 2-hydroxyethyl 2-[(1R,3R)-3-(2,4,5-tricyanophenyl)cyclopentyl]acetate
Other name (1)：
  • 3α-(2,4,5-Tricyanophenyl)cyclopentane-1β-acetic acid 2-hydroxyethyl ester
Thsaurus map：
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