Chem
J-GLOBAL ID：200907075220983242   Nikkaji number：J555.406C

AG-EE-624ZW

2-エトキシ-4-({[(1R)-3-メチル-1-[2-(ピペリジン-1-イル)フェニル]ブチル]カルバモイル}メチル)安息香酸
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： C27H36N2O4
Molecular formula furigana： C27-H36-N2-O4
Molecular weight： 452.595
InChI： InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m1/s1
InChI key： FAEKWTJYAYMJKF-HSZRJFAPSA-N
SMILES： CCOc1cc(CC(=O)N[C@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O
Systematic name  (3)：
  • 2-エトキシ-4-[2-[[(R)-3-メチル-1-[2-(1-ピペリジニル)フェニル]ブチル]アミノ]-2-オキソエチル]安息香酸
  • 2-エトキシ-4-({[(1R)-3-メチル-1-[2-(ピペリジン-1-イル)フェニル]ブチル]カルバモイル}メチル)安息香酸
  • 2-ethoxy-4-({[(1R)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid
Other name (2)：
  • 2-Ethoxy-4-[2-[[(R)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid
  • AG-EE-624ZW
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