• 
  [Synonyms]
  NSC526578
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	463.47766 [g/mol]
  Molecular Formula	C23H29NO9
  H-Bond Donor	3
  H-Bond Acceptor	10
  Rotatable Bond Count	13
  Exact Mass	463.184232
  MonoIsotopic Mass	463.184232
  Topological Polar Surface Area	141
  Heavy Atom Count	33
  Formal Charge	0
  Complexity	471
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: oxalic acid; 3-(2-phenylethylamino)propyl 3,4,5-trimethoxybenzoate
  Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCCNCCC2=CC=CC=C2.C(=O)(C(=O)O)O
  InChI: InChI=1/C21H27NO5.C2H2O4/c1-24-18-14-17(15-19(25-2)20(18)26-3)21(23)27-
  13-7-11-22-12-10-16-8-5-4-6-9-16;3-1(4)2(5)6/h4-6,8-9,14-15,22H,7,
  10-13H2,1-3H3;(H,3,4)(H,5,6)/f/h;3,5H