Chem
J-GLOBAL ID：200907099358392080   Nikkaji number：J1.266.666G

3-(3,5-Dimethylphenyl)-4-[2-[(2S)-1-(tert-butoxycarbonyl)-2-piperidinyl]ethoxy]-6-iodo-7-chloro-1,2-dihydroquinoline-2-one

3-(3,5-ジメチルフェニル)-4-[2-[(2S)-1-(tert-ブトキシカルボニル)-2-ピペリジニル]エトキシ]-6-ヨード-7-クロロ-1,2-ジヒドロキノリン-2-オン
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： C29H34ClIN2O4
Molecular formula furigana： C29-H34-CL-I-N2-O4
Molecular weight： 636.960
InChI： InChI=1S/C29H34ClIN2O4/c1-17-12-18(2)14-19(13-17)25-26(21-15-23(31)22(30)16-24(21)32-27(25)34)36-11-9-20-8-6-7-10-33(20)28(35)37-29(3,4)5/h12-16,20H,6-11H2,1-5H3,(H,32,34)/t20-/m0/s1
InChI key： KIZPAXKMQHFGBB-FQEVSTJZSA-N
SMILES： Cc1cc(C)cc(c1)c1c(OCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c2cc(I)c(Cl)cc2[nH]c1=O
Systematic name  (3)：
  • 3-(3,5-ジメチルフェニル)-4-[2-[(2S)-1-(tert-ブトキシカルボニル)-2-ピペリジニル]エトキシ]-6-ヨード-7-クロロ-1,2-ジヒドロキノリン-2-オン
  • tert-ブチル (2S)-2-(2-{[7-クロロ-3-(3,5-ジメチルフェニル)-6-ヨード-2-オキソ-1,2-ジヒドロキノリン-4-イル]オキシ}エチル)ピペリジン-1-カルボキシラート
  • tert-butyl (2S)-2-(2-{[7-chloro-3-(3,5-dimethylphenyl)-6-iodo-2-oxo-1,2-dihydroquinolin-4-yl]oxy}ethyl)piperidine-1-carboxylate
Other name (1)：
  • 3-(3,5-Dimethylphenyl)-4-[2-[(2S)-1-(tert-butoxycarbonyl)-2-piperidinyl]ethoxy]-6-iodo-7-chloro-1,2-dihydroquinoline-2-one
Thsaurus map：
Thesaurus Map

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