Methyl 2-[(4-{(1R,2R)-2-[(E)-2-(2-Naphthyl)Vinyl]Cyclopropyl}Butanoyl)Amino]Benzoate

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Properties Simple | Detailed

Formula C27H27NO3
IUPAC Name methyl 2-[4-[(1r,2r)-2-[(e)-2-(2-naphthyl)vinyl]cyclopropyl]butanoylamino]benzoate
Molecular Mass 413.508 g·mol−1
Heat of Formation -252.9 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 518.32 Å 3
Surface Area 382.15 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(1r,2r)-2-[(e)-2-(2-naphthyl)vinyl]cyclopropyl]butanoylamino]benzoic acid methyl ester
  • 2-[[4-[(1r,2r)-2-[(e)-2-(2-naphthyl)vinyl]cyclopropyl]-1-oxobutyl]amino]benzoic acid methyl ester
  • 8-(2-naphthyl)-n-(2-methoxycarbonylphenyl)-5,6-methano-7-octenamide
  • methyl 2-[4-[(1r,2r)-2-[(e)-2-(2-naphthyl)vinyl]cyclopropyl]butanoylamino]benzoate
  • methyl 2-[4-[(1r,2r)-2-[(e)-2-naphthalen-2-ylethenyl]cyclopropyl]butanoylamino]benzoate
  • tei 1338
  • tei-1338
CAS Number(s)
  • 114654-34-1
  • 119261-58-4
InChIKey FHWPXRMQJIZPDX-WWAXUJMESA-N
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