5-{(3-Phenoxybenzyl)[(1S)-1,2,3,4-Tetrahydro-1-Naphthalenyl]Carbamoyl}-1,2,4-Benzenetricarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C33H27NO8
IUPAC Name 5-[(3-phenoxyphenyl)methyl-[(1s)-tetralin-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
Molecular Mass 565.569 g·mol−1
Heat of Formation -1066.2 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 646.92 Å 3
Surface Area 460.28 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[3-(phenoxy)benzyl]-[(1s)-tetralin-1-yl]carbamoyl]trimellitic acid
  • 5-[[3-(phenoxy)phenyl]methyl-[(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
  • 5-[[3-(phenoxy)phenyl]methyl-[(1s)-tetralin-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
  • 5-[oxo-[[3-(phenoxy)phenyl]methyl-[(1s)-1-tetralinyl]amino]methyl]benzene-1,2,4-tricarboxylic acid
InChIKey VQGBOYBIENNKMI-LJAQVGFWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N