Chem
J-GLOBAL ID：200907011888473388   Nikkaji number：J1.649.954D

[(3E)-1-Isobutyl-2-oxo-5β-(2-chlorophenyl)-7-chloro-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-ylidene]acetic acid

[(3E)-1-イソブチル-2-オキソ-5β-(2-クロロフェニル)-7-クロロ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3-イリデン]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： C21H19Cl2NO4
Molecular formula furigana： C21-H19-CL2-N-O4
Molecular weight： 420.290
InChI： InChI=1S/C21H19Cl2NO4/c1-12(2)11-24-17-8-7-13(22)9-15(17)20(14-5-3-4-6-16(14)23)28-18(21(24)27)10-19(25)26/h3-10,12,20H,11H2,1-2H3,(H,25,26)/b18-10+/t20-/m0/s1
InChI key： XDAVYCKEYKVVCL-CYEGBWLXSA-N
SMILES： CC(C)CN1c2ccc(Cl)cc2[C@@H](O/C(=C/C(=O)O)/C1=O)c1ccccc1Cl
Systematic name  (3)：
  • [(3E)-1-イソブチル-2-オキソ-5β-(2-クロロフェニル)-7-クロロ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3-イリデン]酢酸
  • 2-[(3E,5R)-7-クロロ-5-(2-クロロフェニル)-1-(2-メチルプロピル)-2-オキソ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3-イリデン]酢酸
  • 2-[(3E,5R)-7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-ylidene]acetic acid
Other name (1)：
  • [(3E)-1-Isobutyl-2-oxo-5β-(2-chlorophenyl)-7-chloro-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-ylidene]acetic acid
Thsaurus map：
Thesaurus Map

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