Chem
J-GLOBAL ID:200907052931918800
Nikkaji number:J342.040J
(3S)-4-(N-Acetylmethylamino)-3,4-dihydro-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
N-[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-N-メチルアセトアミド
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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:
C15 H18 N2 O3
Molecular formula furigana:
C15-H18-N2-O3
Molecular weight:
274.320
InChI:
InChI=1S/C15H18N2O3/c1-9(18)17(4)13-11-7-10(8-16)5-6-12(11)20-15(2,3)14(13)19/h5-7,13-14,19H,1-4H3/t13?,14-/m0/s1
InChI key:
FVOBIZXTSVUSAO-KZUDCZAMSA-N
SMILES:
CN(C1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N)C(=O)C
Systematic name (3):
(3S)-4-(N-アセチルメチルアミノ)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-2H-1-ベンゾピラン-6-カルボニトリル
N-[(3S)-6-シアノ-3-ヒドロキシ-2,2-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-N-メチルアセトアミド
N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-N-methylacetamide
Other name (1):
(3S)-4-(N-Acetylmethylamino)-3,4-dihydro-3β-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
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