Chem
J-GLOBAL ID:200907025684468300   Nikkaji number:J1.801.656G

(3S)-2-Amino-3α-cyano-4α,5β-bis(4-methylphenyl)cyclopentene-1,3-dicarboxylic acid diisopropyl ester

(3S)-2-アミノ-3α-シアノ-4α,5β-ビス(4-メチルフェニル)シクロペンテン-1,3-ジカルボン酸ジイソプロピル
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: C28H32N2O4
Molecular formula furigana: C28-H32-N2-O4
Molecular weight: 460.574
InChI: InChI=1S/C28H32N2O4/c1-16(2)33-26(31)23-22(20-11-7-18(5)8-12-20)24(21-13-9-19(6)10-14-21)28(15-29,25(23)30)27(32)34-17(3)4/h7-14,16-17,22,24H,30H2,1-6H3/t22-,24+,28-/m0/s1
InChI key: WYZDNIBRKOMVHU-SAYMBASOSA-N
SMILES: CC(C)OC(=O)C1=C(N)[C@](C#N)([C@@H]([C@H]1c1ccc(C)cc1)c1ccc(C)cc1)C(=O)OC(C)C
Systematic name  (3):
  • (3S)-2-アミノ-3α-シアノ-4α,5β-ビス(4-メチルフェニル)シクロペンテン-1,3-ジカルボン酸ジイソプロピル
  • 1,3-ビス(プロパン-2-イル) (3S,4S,5S)-2-アミノ-3-シアノ-4,5-ビス(4-メチルフェニル)シクロペンタ-1-エン-1,3-ジカルボキシラート
  • 1,3-bis(propan-2-yl) (3S,4S,5S)-2-amino-3-cyano-4,5-bis(4-methylphenyl)cyclopent-1-ene-1,3-dicarboxylate
Other name (1):
  • (3S)-2-Amino-3α-cyano-4α,5β-bis(4-methylphenyl)cyclopentene-1,3-dicarboxylic acid diisopropyl ester
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