Formula |
C36H39NO5 |
IUPAC Name |
4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid |
Molecular Mass |
565.699 g·mol−1 |
Heat of Formation |
-684.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.58 ± 1.08 D |
Volume |
718.48 Å 3 |
Surface Area |
555.87 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
2.39 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[[(5-hydroxy-5-keto-pentyl)-[2-[2-[4-(2-phenylethyl)benzyl]oxyphenyl]ethyl]amino]methyl]benzoic acid
- 4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
- 4-[[(5-hydroxy-5-oxopentyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
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InChIKey |
WPYWMXNXEZFMAK-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
N
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