• 
  [Synonyms]
  LS-37952
  m-(2-Methyl-5-phenylpyrrol-1-yl)benzoic acid compd. with 2-amino-2-methyl-1-propanol (1:1)
  Benzoic acid, m-(2-methyl-5-phenylpyrrol-1-yl)-, compd. with 2-amino-2-methyl-1-propanol (1:1)
  26180-47-2
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	366.45344 [g/mol]
  Molecular Formula	C22H26N2O3
  H-Bond Donor	3
  H-Bond Acceptor	5
  Rotatable Bond Count	4
  Exact Mass	366.194343
  MonoIsotopic Mass	366.194343
  Topological Polar Surface Area	88.5
  Heavy Atom Count	27
  Formal Charge	0
  Complexity	407
  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: 2-amino-2-methylpropan-1-ol; 3-(2-methyl-5-phenylpyrrol-1-yl)benzoic
  acid
  Canonical SMILES: CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3.CC(C)(CO)N
  InChI: InChI=1/C18H15NO2.C4H11NO/c1-13-10-11-17(14-6-3-2-4-7-14)19(13)16-9-5-8-
  15(12-16)18(20)21;1-4(2,5)3-6/h2-12H,1H3,(H,20,21);6H,3,5H2,
  1-2H3/f/h20H;