Chem
J-GLOBAL ID：200907031539580976   Nikkaji number：J1.292.291D

[3-[(R)-1-[[[1-[(S)-2-(3,4,5-Trimethoxyphenyl)-4-pentenoyl]piperidine-2α-yl]carbonyl]oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid

[3-[(R)-1-[[[1-[(S)-2-(3,4,5-トリメトキシフェニル)-4-ペンテノイル]ピペリジン-2α-イル]カルボニル]オキシ]-3-(3,4-ジメトキシフェニル)プロピル]フェノキシ]酢酸
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： C39H47NO11
Molecular formula furigana： C39-H47-N-O11
Molecular weight： 705.801
InChI： InChI=1S/C39H47NO11/c1-7-11-29(27-22-34(47-4)37(49-6)35(23-27)48-5)38(43)40-19-9-8-14-30(40)39(44)51-31(26-12-10-13-28(21-26)50-24-36(41)42)17-15-25-16-18-32(45-2)33(20-25)46-3/h7,10,12-13,16,18,20-23,29-31H,1,8-9,11,14-15,17,19,24H2,2-6H3,(H,41,42)/t29-,30-,31+/m0/s1
InChI key： GTVAUHXUMYENSK-RWSKJCERSA-N
SMILES： COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC=C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)O)c2)cc1OC
Systematic name  (3)：
  • [3-[(R)-1-[[[1-[(S)-2-(3,4,5-トリメトキシフェニル)-4-ペンテノイル]ピペリジン-2α-イル]カルボニル]オキシ]-3-(3,4-ジメトキシフェニル)プロピル]フェノキシ]酢酸
  • 2-{3-[(1R)-3-(3,4-ジメトキシフェニル)-1-[(2S)-1-[(2S)-2-(3,4,5-トリメトキシフェニル)ペンタ-4-エノイル]ピペリジン-2-カルボニルオキシ]プロピル]フェノキシ}酢酸
  • 2-{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidine-2-carbonyloxy]propyl]phenoxy}acetic acid
Other name (1)：
  • [3-[(R)-1-[[[1-[(S)-2-(3,4,5-Trimethoxyphenyl)-4-pentenoyl]piperidine-2α-yl]carbonyl]oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
Thsaurus map：
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