Chem
J-GLOBAL ID：200907093395420443   Nikkaji number：J1.810.800C

2-Cyano-3-ethyl-3-[(3,4-diethyl-6α-methyl-3-cyclohexene-1α-yl)methyl]pentanoic acid ethyl ester

2-シアノ-3-エチル-3-[(3,4-ジエチル-6α-メチル-3-シクロヘキセン-1α-イル)メチル]ペンタン酸エチル
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： C22H37NO2
Molecular formula furigana： C22-H37-N-O2
Molecular weight： 347.543
InChI： InChI=1S/C22H37NO2/c1-7-17-12-16(6)19(13-18(17)8-2)14-22(9-3,10-4)20(15-23)21(24)25-11-5/h16,19-20H,7-14H2,1-6H3/t16-,19-,20?/m0/s1
InChI key： RXCHICITMVBPHR-QICOWLOGSA-N
SMILES： CCOC(=O)C(C#N)C(CC)(CC)C[C@@H]1CC(=C(CC)C[C@@H]1C)CC
Systematic name  (3)：
  • 2-シアノ-3-エチル-3-[(3,4-ジエチル-6α-メチル-3-シクロヘキセン-1α-イル)メチル]ペンタン酸エチル
  • エチル 2-シアノ-3-{[(1R,6S)-3,4-ジエチル-6-メチルシクロヘキサ-3-エン-1-イル]メチル}-3-エチルペンタノアート
  • ethyl 2-cyano-3-{[(1R,6S)-3,4-diethyl-6-methylcyclohex-3-en-1-yl]methyl}-3-ethylpentanoate
Other name (1)：
  • 2-Cyano-3-ethyl-3-[(3,4-diethyl-6α-methyl-3-cyclohexene-1α-yl)methyl]pentanoic acid ethyl ester
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