Chem
J-GLOBAL ID：200907026091958251   Nikkaji number：J2.079.892K

(3R,4R)-2,2-Dimethyl-3α-hydroxy-4α-(2-oxopyrrolizino)-3,4-dihydro-6-cyano-2H-1-benzopyran

(3R,4R)-2,2-ジメチル-3α-ヒドロキシ-4α-(2-オキソピロリジノ)-3,4-ジヒドロ-6-シアノ-2H-1-ベンゾピラン
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： C16H18N2O3
Molecular formula furigana： C16-H18-N2-O3
Molecular weight： 286.331
InChI： InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15-/m1/s1
InChI key： TVZCRIROJQEVOT-HUUCEWRRSA-N
SMILES： CC1(C)Oc2ccc(cc2[C@H]([C@H]1O)N1CCCC1=O)C#N
Systematic name  (3)：
  • (3R,4R)-2,2-ジメチル-3α-ヒドロキシ-4α-(2-オキソピロリジノ)-3,4-ジヒドロ-6-シアノ-2H-1-ベンゾピラン
  • (3R,4R)-3-ヒドロキシ-2,2-ジメチル-4-(2-オキソピロリジン-1-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン-6-カルボニトリル
  • (3R,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
Other name (1)：
  • (3R,4R)-2,2-Dimethyl-3α-hydroxy-4α-(2-oxopyrrolizino)-3,4-dihydro-6-cyano-2H-1-benzopyran
CAS registry number： 148811-93-2
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