Ethyl (4E)-6-[4-(Carbamoyloxy)-6-Methoxy-7-Methyl-3-Oxo-1,3-Dihydro-2-Benzofuran-5-Yl]-4-Methyl-4-Hexenoate

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Properties Simple | Detailed

Formula C20H25NO7
IUPAC Name ethyl (e)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
Molecular Mass 391.415 g·mol−1
Heat of Formation -1206.3 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 458.75 Å 3
Surface Area 352.6 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-6-(4-carbamoyloxy-3-keto-6-methoxy-7-methyl-1h-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid ethyl ester
  • (e)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methylhex-4-enoic acid ethyl ester
  • 4-hexenoic acid, 6-(4-((aminocarbonyl)oxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, ethyl ester, (e)-
  • 4-hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, ethyl ester, carbamate (ester) (e)-
  • carbamoyl mycophenolic acid ethyl ester
  • ethyl (e)-6-(4-aminocarbonyloxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methyl-hex-4-enoate
  • ethyl (e)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-enoate
  • ethyl (e)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
CAS Number(s)
  • 40336-43-4
InChIKey OGZXNIUMCRIYRK-IZZDOVSWSA-N
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