Formula |
C28H23BrN2O6 |
IUPAC Name |
4-[4-[(6-bromo-3-methoxycarbonyl-1-oxo-4-phenyl-2-isoquinolyl)methyl]anilino]-4-oxo-butanoic acid |
Molecular Mass |
563.396 g·mol−1 |
Heat of Formation |
-748.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.60 ± 1.08 D |
Volume |
589.59 Å 3 |
Surface Area |
496.44 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
1.96 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[[4-[(6-bromo-3-carbomethoxy-1-keto-4-phenyl-2-isoquinolyl)methyl]phenyl]amino]-4-keto-butyric acid
- 4-[[4-[(6-bromo-3-methoxycarbonyl-1-oxo-4-phenyl-2-isoquinolyl)methyl]phenyl]amino]-4-oxo-butanoic acid
- 4-[[4-[(6-bromo-3-methoxycarbonyl-1-oxo-4-phenyl-2-isoquinolyl)methyl]phenyl]amino]-4-oxobutanoic acid
- 4-[[4-[(6-bromo-3-methoxycarbonyl-1-oxo-4-phenyl-isoquinolin-2-yl)methyl]phenyl]amino]-4-oxo-butanoic acid
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InChIKey |
UJOQZQKRUNERFC-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
Br
N
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