5-{[(4'-Methoxy-4-Biphenylyl)Methyl][(1S)-1,2,3,4-Tetrahydro-1-Naphthalenyl]Carbamoyl}-1,2,4-Benzenetricarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C34H29NO8
IUPAC Name 5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1s)-tetralin-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
Molecular Mass 579.596 g·mol−1
Heat of Formation -1087.4 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 666.43 Å 3
Surface Area 500.15 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[4-(4-methoxyphenyl)benzyl]-[(1s)-tetralin-1-yl]carbamoyl]trimellitic acid
  • 5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
  • 5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1s)-tetralin-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
  • 5-[[[4-(4-methoxyphenyl)phenyl]methyl-[(1s)-1-tetralinyl]amino]-oxomethyl]benzene-1,2,4-tricarboxylic acid
InChIKey RDVWBTCVLAKXDT-PMERELPUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N