Chem
J-GLOBAL ID：200907055393593996   Nikkaji number：J2.111.511H

(1R)-2α-(Ethoxycarbonyl)-3β-[(1R)-1-cyano-3-(4-bromobenzoyloxy)propyl]cyclopentane-1α-acetic acid ethyl ester

(1R)-2α-(エトキシカルボニル)-3β-[(1R)-1-シアノ-3-(4-ブロモベンゾイルオキシ)プロピル]シクロペンタン-1α-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： C23H28BrNO6
Molecular formula furigana： C23-H28-BR-N-O6
Molecular weight： 494.382
InChI： InChI=1S/C23H28BrNO6/c1-3-29-20(26)13-16-7-10-19(21(16)23(28)30-4-2)17(14-25)11-12-31-22(27)15-5-8-18(24)9-6-15/h5-6,8-9,16-17,19,21H,3-4,7,10-13H2,1-2H3/t16-,17+,19-,21+/m1/s1
InChI key： UQDURXARCAHUTQ-FKPGQJDZSA-N
SMILES： CCOC(=O)C[C@H]1CC[C@H]([C@@H](CCOC(=O)c2ccc(Br)cc2)C#N)[C@H]1C(=O)OCC
Systematic name  (3)：
  • (1R)-2α-(エトキシカルボニル)-3β-[(1R)-1-シアノ-3-(4-ブロモベンゾイルオキシ)プロピル]シクロペンタン-1α-酢酸エチル
  • (3R)-3-シアノ-3-[(1R,2S,3R)-3-(2-エトキシ-2-オキソエチル)-2-(エトキシカルボニル)シクロペンチル]プロピル 4-ブロモベンゾアート
  • (3R)-3-cyano-3-[(1R,2S,3R)-3-(2-ethoxy-2-oxoethyl)-2-(ethoxycarbonyl)cyclopentyl]propyl 4-bromobenzoate
Other name (1)：
  • (1R)-2α-(Ethoxycarbonyl)-3β-[(1R)-1-cyano-3-(4-bromobenzoyloxy)propyl]cyclopentane-1α-acetic acid ethyl ester
Thsaurus map：
Thesaurus Map

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