(2Z)-4-[1-Benzyl-4-(4-Chlorobenzyl)-4-Piperidinyl]-2-Hydroxy-4-Oxo-2-Butenoic Acid

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Properties Simple | Detailed

Formula C23H24ClNO4
IUPAC Name (z)-4-[1-benzyl-4-[(4-chlorophenyl)methyl]-4-piperidyl]-2-hydroxy-4-oxo-but-2-enoic acid
Molecular Mass 413.894 g·mol−1
Heat of Formation -505.2 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 492.31 Å 3
Surface Area 405.08 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)-4-piperidinyl]-2-hydroxy-4-oxo-, (2z)-
InChIKey DGJZJCIAWLMRBY-ZHZULCJRSA-N
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Elements H C N O Cl