Chem
J-GLOBAL ID：200907074687387884
Nikkaji number：J2.111.506A
(1R)-2α-(Ethoxycarbonyl)-3β-[(1Z)-1-cyano-3-oxo-1-propenyl]cyclopentane-1α-acetic acid ethyl ester
(1R)-2α-(エトキシカルボニル)-3β-[(1Z)-1-シアノ-3-オキソ-1-プロペニル]シクロペンタン-1α-酢酸エチル
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
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
Molecular formula： C16H21NO5
Molecular formula furigana： C16-H21-N-O5
Molecular weight： 307.346
InChI：
InChI=1S/C16H21NO5/c1-3-21-14(19)9-11-5-6-13(12(10-17)7-8-18)15(11)16(20)22-4-2/h7-8,11,13,15H,3-6,9H2,1-2H3/b12-7+/t11-,13-,15+/m1/s1
InChI key：
JLBRRFFMPOXDRP-GLTGHDFSSA-N
SMILES：
CCOC(=O)C[C@H]1CC[C@@H]([C@H]1C(=O)OCC)/C(=C/C=O)/C#N
Systematic name (3)：
- (1R)-2α-(エトキシカルボニル)-3β-[(1Z)-1-シアノ-3-オキソ-1-プロペニル]シクロペンタン-1α-酢酸エチル
- エチル (1S,2S,5R)-2-[(1Z)-1-シアノ-3-オキソプロパ-1-エン-1-イル]-5-(2-エトキシ-2-オキソエチル)シクロペンタン-1-カルボキシラート
- ethyl (1S,2S,5R)-2-[(1Z)-1-cyano-3-oxoprop-1-en-1-yl]-5-(2-ethoxy-2-oxoethyl)cyclopentane-1-carboxylate
- (1R)-2α-(Ethoxycarbonyl)-3β-[(1Z)-1-cyano-3-oxo-1-propenyl]cyclopentane-1α-acetic acid ethyl ester
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