[(2-Phenyl-4-{[(1S)-1-Phenylpropyl]Carbamoyl}-3-Quinolinyl)Oxy]Acetic Acid

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Properties Simple | Detailed

Formula C27H25N2O4
IUPAC Name 2-[2-phenyl-4-[[(1s)-1-phenylpropyl]carbamoyl]quinolin-1-ium-3-id-3-yl]oxyacetate
Molecular Mass 441.498 g·mol−1
Heat of Formation -327.1 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 531.02 Å 3
Surface Area 414.21 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-phenyl-4-[[(1s)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyacetic acid
  • 2-[2-phenyl-4-[[(1s)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyethanoic acid
  • 2-[[2-phenyl-4-[[(1s)-1-phenylpropyl]carbamoyl]-3-quinolyl]oxy]acetic acid
  • 2-[[4-[oxo-[[(1s)-1-phenylpropyl]amino]methyl]-2-phenyl-3-quinolyl]oxy]acetic acid
  • pdsp1_000973
  • pdsp2_000957
InChIKey RJIWGNBRTQFKBW-NRFANRHFSA-N
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