• 
  [Synonyms]
  92981-24-3
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	470.5182 [g/mol]
  Molecular Formula	C24H30N4O6
  H-Bond Donor	2
  H-Bond Acceptor	8
  Rotatable Bond Count	8
  Tautomer Count	3
  Exact Mass	470.216535
  MonoIsotopic Mass	470.216535
  Topological Polar Surface Area	123
  Heavy Atom Count	34
  Formal Charge	0
  Complexity	557
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	1
  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: methyl N-(1H-benzimidazol-2-yl)carbamate; methyl
  (2S)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoate
  Canonical SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC.COC(=O)NC1=NC2=CC=CC=C2N1
  Isomeric SMILES: CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)OC)C(=O)COC.COC(=O)NC1=NC2=CC=CC=C2N1
  InChI: InChI=1/C15H21NO4.C9H9N3O2/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)
  15(18)20-5;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h6-8,12H,9H2,1-5H3;2-5H,
  1H3,(H2,10,11,12,13)/t12-;/m0./s1/f/h;10,12H