Formula |
C31H37NO5 |
IUPAC Name |
4-[(1s)-1-(4-isobutylphenyl)ethoxy]-2,3-dimethyl-n-[(z)-1-methyl-2-propoxy-prop-1-enyl]benzamide dihydrate |
Molecular Mass |
503.629 g·mol−1 |
Heat of Formation |
-831.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.49 ± 1.08 D |
Volume |
638.26 Å 3 |
Surface Area |
550.17 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
-0.32 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[2-[[2,3-dimethyl-4-[(1s)-1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]amino]phenoxy]butanoic acid
- 4-[2-[[2,3-dimethyl-4-[(1s)-1-[4-(2-methylpropyl)phenyl]ethoxy]phenyl]carbonylamino]phenoxy]butanoic acid
- 4-[2-[[4-[(1s)-1-(4-isobutylphenyl)ethoxy]-2,3-dimethyl-benzoyl]amino]phenoxy]butanoic acid
- 4-[2-[[4-[(1s)-1-(4-isobutylphenyl)ethoxy]-2,3-dimethyl-benzoyl]amino]phenoxy]butyric acid
- 4-[2-[[[4-[(1s)-1-(4-isobutylphenyl)ethoxy]-2,3-dimethylphenyl]-oxomethyl]amino]phenoxy]butanoic acid
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InChIKey |
XWNSOVPLENXWNU-QHCPKHFHSA-N |
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Links |
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Elements |
H
C
O
N
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