Chem
J-GLOBAL ID：200907033329827432   Nikkaji number：J2.309.091K

(3S)-α-Cyano-1′,5′-dihydrospiro[cyclohexane-1,3′-[2,4]benzodioxepin]-3β-acetic acid ethyl ester

(3S)-α-シアノ-1′,5′-ジヒドロスピロ[シクロヘキサン-1,3′-[2,4]ベンゾジオキセピン]-3β-酢酸エチル
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： C19H23NO4
Molecular formula furigana： C19-H23-N-O4
Molecular weight： 329.396
InChI： InChI=1S/C19H23NO4/c1-2-22-18(21)17(11-20)14-8-5-9-19(10-14)23-12-15-6-3-4-7-16(15)13-24-19/h3-4,6-7,14,17H,2,5,8-10,12-13H2,1H3/t14-,17?/m0/s1
InChI key： MMJTUDJSAZQTNH-MBIQTGHCSA-N
SMILES： CCOC(=O)C(C#N)[C@H]1CCCC2(C1)OCc1ccccc1CO2
Systematic name  (3)：
  • (3S)-α-シアノ-1′,5′-ジヒドロスピロ[シクロヘキサン-1,3′-[2,4]ベンゾジオキセピン]-3β-酢酸エチル
  • エチル 2-シアノ-2-[(5'S)-1,5-ジヒドロスピロ[2,4-ベンゾジオキセピン-3,1'-シクロヘキサン]-5'-イル]アセタート
  • ethyl 2-cyano-2-[(5'S)-1,5-dihydrospiro[2,4-benzodioxepine-3,1'-cyclohexan]-5'-yl]acetate
Other name (1)：
  • (3S)-α-Cyano-1′,5′-dihydrospiro[cyclohexane-1,3′-[2,4]benzodioxepin]-3β-acetic acid ethyl ester
Thsaurus map：
Thesaurus Map

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