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| IUPAC Name: | 3-cyano-4-propan-2-yloxybenzoic acid |
| Description: | 3-Cyano-4-isopropoxybenzoic Acid (CAS# 258273-31-3) is a useful reagent in the preparation of cyanoaryloxadiazolyl-substituted nitrogen heterocycles as S1P3-sparing agonists of sphingosine phosphate receptors S1P1 and S1P5 for treatment of multiple sclerosis and their pharmacokinetics and side effect profiles. Preparayion and SAR of biaryl oxadiazoles as S1P1 receptor agonists. |
| Molecular Weight: | 205.21 |
| Molecular Formula: | C11H11NO3 |
| Canonical SMILES: | CC(C)OC1=C(C=C(C=C1)C(=O)O)C#N |
| InChI: | InChI=1S/C11H11NO3/c1-7(2)15-10-4-3-8(11(13)14)5-9(10)6-12/h3-5,7H,1-2H3,(H,13,14) |
| InChI Key: | FQGLEMDXDTZJMJ-UHFFFAOYSA-N |
| Boiling Point: | 371.39 ℃ at 760 mmHg |
| Density: | 1.231 g/cm3 |
| LogP: | 2.04368 |
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1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
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