Chem
J-GLOBAL ID：200907006270262226   Nikkaji number：J1.690.915G

(2S,3S)-2-(4-Methoxyphenylamino)-3-formyl-5-undecenoic acid ethyl ester

(2S,3S)-2-(4-メトキシフェニルアミノ)-3-ホルミル-5-ウンデセン酸エチル
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： C21H31NO4
Molecular formula furigana： C21-H31-N-O4
Molecular weight： 361.482
InChI： InChI=1S/C21H31NO4/c1-4-6-7-8-9-10-11-17(16-23)20(21(24)26-5-2)22-18-12-14-19(25-3)15-13-18/h9-10,12-17,20,22H,4-8,11H2,1-3H3/t17-,20+/m1/s1
InChI key： LXVCDOKZWOQDNQ-XLIONFOSSA-N
SMILES： CCCCCC=CC[C@H](C=O)[C@H](Nc1ccc(OC)cc1)C(=O)OCC
Systematic name  (3)：
  • (2S,3S)-2-(4-メトキシフェニルアミノ)-3-ホルミル-5-ウンデセン酸エチル
  • エチル (2S,3S)-3-ホルミル-2-[(4-メトキシフェニル)アミノ]ウンデカ-5-エノアート
  • ethyl (2S,3S)-3-formyl-2-[(4-methoxyphenyl)amino]undec-5-enoate
Other name (1)：
  • (2S,3S)-2-(4-Methoxyphenylamino)-3-formyl-5-undecenoic acid ethyl ester
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