Chem
J-GLOBAL ID：200907050575399301   Nikkaji number：J460.717A

SDZ-PCO-400

SDZ-PCO-400
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： C17H17NO4
Molecular formula furigana： C17-H17-N-O4
Molecular weight： 299.326
InChI： InChI=1S/C17H17NO4/c1-17(2)16(20)15(21-12-5-4-11(19)8-12)13-7-10(9-18)3-6-14(13)22-17/h3,6-8,15-16,20H,4-5H2,1-2H3/t15-,16+/m1/s1
InChI key： WJBHHTPFTVKZCV-CVEARBPZSA-N
SMILES： CC1(C)Oc2ccc(cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O)C#N
Systematic name  (4)：
  • [3S,4R,(-)]-3,4-ジヒドロ-3-ヒドロキシ-2,2-ジメチル-4-[(3-オキソ-1-シクロペンテン-1-イル)オキシ]-2H-1-ベンゾピラン-6-カルボニトリル
  • (3S)-3,4-ジヒドロ-3β-ヒドロキシ-2,2-ジメチル-4α-[(3-オキソ-1-シクロペンテン-1-イル)オキシ]-2H-1-ベンゾピラン-6-カルボニトリル
  • (3S,4R)-3-ヒドロキシ-2,2-ジメチル-4-[(3-オキソシクロペンタ-1-エン-1-イル)オキシ]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-カルボニトリル
  • (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxocyclopent-1-en-1-yl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
Other name (4)：
  • SDZ-PCO-400
  • SDZ PCO-400
  • [3S,4R,(-)]-3,4-Dihydro-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentene-1-yl)oxy]-2H-1-benzopyran-6-carbonitrile
  • (3S)-3,4-Dihydro-3β-hydroxy-2,2-dimethyl-4α-[(3-oxo-1-cyclopentene-1-yl)oxy]-2H-1-benzopyran-6-carbonitrile
Thsaurus map：
Thesaurus Map

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