Formula |
C26H32N2O4 |
IUPAC Name |
3-[4-cyano-3-[(2r)-2-hydroxy-3-[(2-indan-2-yl-1,1-dimethyl-ethyl)amino]propoxy]phenyl]propanoic acid |
Molecular Mass |
436.543 g·mol−1 |
Heat of Formation |
-610.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.14 ± 1.08 D |
Volume |
551.01 Å 3 |
Surface Area |
399.74 Å 2 |
HOMO Energy |
-9.23 ± 0.55 eV |
LUMO Energy |
-0.77 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[4-cyano-3-[(2r)-2-hydroxy-3-[(2-indan-2-yl-1,1-dimethyl-ethyl)amino]propoxy]phenyl]propanoic acid
- 3-[4-cyano-3-[(2r)-2-hydroxy-3-[(2-indan-2-yl-1,1-dimethyl-ethyl)amino]propoxy]phenyl]propionic acid
- 3-[4-cyano-3-[(2r)-2-hydroxy-3-[[2-(2-indanyl)-1,1-dimethylethyl]amino]propoxy]phenyl]propanoic acid
- 3-[4-cyano-3-[(2r)-3-[[1-(2,3-dihydro-1h-inden-2-yl)-2-methyl-propan-2-yl]amino]-2-hydroxy-propoxy]phenyl]propanoic acid
- 3-[4-cyano-3-[(2r)-3-[[1-(2,3-dihydro-1h-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid
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InChIKey |
NJBFJCJKWWIKRD-HSZRJFAPSA-N |
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Elements |
H
C
O
N
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