Methyl [4'-({[1-(1H-Imidazol-2-Ylmethyl)-4-Piperidinyl](4-Pentylbenzoyl)Amino}Methyl)-4-Biphenylyl]Acetate

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Properties Simple | Detailed

Formula C37H44N4O3
IUPAC Name methyl 2-[4-[4-[[[1-(imidazol-2-ylmethyl)-4-piperidyl]-(4-pentylbenzoyl)amino]methyl]phenyl]phenyl]acetate
Molecular Mass 592.770 g·mol−1
Heat of Formation -275.6 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 753.82 Å 3
Surface Area 602.8 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[4-[[(4-amylbenzoyl)-[1-(1h-imidazol-2-ylmethyl)-4-piperidyl]amino]methyl]phenyl]phenyl]acetic acid methyl ester
  • 2-[4-[4-[[[1-(1h-imidazol-2-ylmethyl)-4-piperidinyl]-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl]phenyl]acetic acid methyl ester
  • ih4
  • methyl 2-[4-[4-[[[1-(1h-imidazol-2-ylmethyl)-4-piperidyl]-(4-pentylbenzoyl)amino]methyl]phenyl]phenyl]acetate
  • methyl 2-[4-[4-[[[1-(1h-imidazol-2-ylmethyl)piperidin-4-yl]-(4-pentylbenzoyl)amino]methyl]phenyl]phenyl]acetate
  • methyl 2-[4-[4-[[[1-(1h-imidazol-2-ylmethyl)piperidin-4-yl]-(4-pentylphenyl)carbonyl-amino]methyl]phenyl]phenyl]ethanoate
  • n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)
InChIKey JJVQUUYZGJWBPW-UHFFFAOYSA-N
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