Chem
J-GLOBAL ID：201707012620353559   Nikkaji number：J3.581.571F

(S)-2-(2-Methyl-4-(5,4-(epoxyethano)quinoline-8-yl)-3-quinolinyl)-2-tert-butoxyacetic acid

(S)-2-(2-メチル-4-(5,4-(エポキシエタノ)キノリン-8-イル)-3-キノリニル)-2-tert-ブトキシ酢酸
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： C27H26N2O4
Molecular formula furigana： C27-H26-N2-O4
Molecular weight： 442.515
InChI： InChI=1S/C27H26N2O4/c1-15-21(25(26(30)31)33-27(2,3)4)23(17-7-5-6-8-19(17)29-15)18-9-10-20-22-16(12-14-32-20)11-13-28-24(18)22/h5-11,13,25H,12,14H2,1-4H3,(H,30,31)/t25-/m0/s1
InChI key： MIXIIJCBELCMCZ-VWLOTQADSA-N
SMILES： Cc1nc2ccccc2c(c2ccc3OCCc4ccnc2c34)c1[C@H](OC(C)(C)C)C(=O)O
Systematic name  (3)：
  • (S)-2-(2-メチル-4-(5,4-(エポキシエタノ)キノリン-8-イル)-3-キノリニル)-2-tert-ブトキシ酢酸
  • (2S)-2-(tert-ブトキシ)-2-(2-メチル-4-{2-オキサ-8-アザトリシクロ[7.3.1.05,13]トリデカ-1(13),5,7,9,11-ペンタエン-10-イル}キノリン-3-イル)酢酸
  • (2S)-2-(tert-butoxy)-2-(2-methyl-4-{2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl}quinolin-3-yl)acetic acid
Other name (1)：
  • (S)-2-(2-Methyl-4-(5,4-(epoxyethano)quinoline-8-yl)-3-quinolinyl)-2-tert-butoxyacetic acid
Thsaurus map：
Thesaurus Map

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