Chem
J-GLOBAL ID:200907089885560602
Nikkaji number:J2.691.110I
1-(Diethoxyphosphinyl)-2β-phenyl-3-(3-thienyl)-5-methylenepiperidine-3β-carboxylic acid methyl ester
1-(ジエトキシホスフィニル)-2β-フェニル-3-(3-チエニル)-5-メチレンピペリジン-3β-カルボン酸メチル
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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:
C22 H28 NO5 PS
Molecular formula furigana:
C22-H28-N-O5-P-S
Molecular weight:
449.500
InChI:
InChI=1S/C22H28NO5PS/c1-5-27-29(25,28-6-2)23-15-17(3)14-22(21(24)26-4,19-12-13-30-16-19)20(23)18-10-8-7-9-11-18/h7-13,16,20H,3,5-6,14-15H2,1-2,4H3/t20-,22+/m0/s1
InChI key:
KNVBAIYXDFDTAH-RBBKRZOGSA-N
SMILES:
CCOP(=O)(OCC)N1CC(=C)C[C@@]([C@@H]1c1ccccc1)(C(=O)OC)c1ccsc1
Systematic name (3):
1-(ジエトキシホスフィニル)-2β-フェニル-3-(3-チエニル)-5-メチレンピペリジン-3β-カルボン酸メチル
メチル (2S,3R)-1-(ジエトキシホスホリル)-5-メチリデン-2-フェニル-3-(チオフェン-3-イル)ピペリジン-3-カルボキシラート
methyl (2S,3R)-1-(diethoxyphosphoryl)-5-methylidene-2-phenyl-3-(thiophen-3-yl)piperidine-3-carboxylate
Other name (1):
1-(Diethoxyphosphinyl)-2β-phenyl-3-(3-thienyl)-5-methylenepiperidine-3β-carboxylic acid methyl ester
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