• 
  [Synonyms]
  NSC692349
  NCI60_033115
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	474.42915 [g/mol]
  Molecular Formula	C24H21F3N2O5
  XLogP	3.3
  H-Bond Donor	1
  H-Bond Acceptor	9
  Rotatable Bond Count	7
  Exact Mass	474.140256
  MonoIsotopic Mass	474.140256
  Topological Polar Surface Area	88.7
  Heavy Atom Count	34
  Formal Charge	0
  Complexity	791
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	2
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: methyl
  2-[(2R,3R)-2-[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]-1-(2,2,
  2-trifluoroacetyl)-2,3-dihydroindol-3-yl]acetate
  Canonical SMILES: COC(=O)CC1C(N(C2=CC=CC=C12)C(=O)C(F)(F)F)C3=C(C4=CC=CC=C4N3)CC(=O)OC
  Isomeric SMILES: COC(=O)C[C@H]1[C@@H](N(C2=CC=CC=C12)C(=O)C(F)(F)F)C3=C(C4=CC=CC=C4N3)CC
  (=O)OC
  InChI: InChI=1/C24H21F3N2O5/c1-33-19(30)11-15-13-7-3-5-9-17(13)28-21(15)22-16
  (12-20(31)34-2)14-8-4-6-10-18(14)29(22)23(32)24(25,26)27/h3-10,16,22,
  28H,11-12H2,1-2H3/t16-,22-/m1/s1