• 
  [Synonyms]
  NSC193535
  53207-34-4
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	321.36822 [g/mol]
  Molecular Formula	C17H23NO5
  H-Bond Donor	2
  H-Bond Acceptor	6
  Rotatable Bond Count	6
  Exact Mass	321.157623
  MonoIsotopic Mass	321.157623
  Topological Polar Surface Area	94.9
  Heavy Atom Count	23
  Formal Charge	0
  Complexity	334
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	1
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: but-2-enedioic acid; 3-dimethylamino-2,2-dimethyl-1-phenylpropan-1-one
  Canonical SMILES: CC(C)(CN(C)C)C(=O)C1=CC=CC=C1.C(=CC(=O)O)C(=O)O
  InChI: InChI=1/C13H19NO.C4H4O4/c1-13(2,
  10-14(3)4)12(15)11-8-6-5-7-9-11;5-3(6)1-2-4(7)8/h5-9H,10H2,1-4H3;1-2H,
  (H,5,6)(H,7,8)/f/h;5,7H