Chem
J-GLOBAL ID：200907011908443839   Nikkaji number：J282.997E

(-)-Indobufen

(-)-インドブフェン
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： C18H17NO3
Molecular formula furigana： C18-H17-N-O3
Molecular weight： 295.338
InChI： InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)/t15-/m1/s1
InChI key： AYDXAULLCROVIT-OAHLLOKOSA-N
SMILES： CC[C@@H](C(=O)O)c1ccc(cc1)N1Cc2ccccc2C1=O
Systematic name  (4)：
  • [R,(-)]-4-[(1,3-ジヒドロ-1-オキソ-2H-イソインドール)-2-イル]-α-エチルベンゼン酢酸
  • (αR)-4-[(1,3-ジヒドロ-1-オキソ-2H-イソインドール)-2-イル]-α-エチルベンゼン酢酸
  • (2R)-2-[4-(1-オキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)フェニル]ブタン酸
  • (2R)-2-[4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]butanoic acid
Other name (4)：
  • (-)-Indobufen
  • (-)-インドブフェン
  • [R,(-)]-4-[(1,3-Dihydro-1-oxo-2H-isoindole)-2-yl]-α-ethylbenzeneacetic acid
  • (αR)-4-[(1,3-Dihydro-1-oxo-2H-isoindole)-2-yl]-α-ethylbenzeneacetic acid
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