| SpectraBase Spectrum ID |
CTR0CMjUvQr |
| Name |
Methyl 1-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-piperidinecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.064362464 u |
| Formula |
C18H18Cl2N2O4 |
| InChI |
InChI=1S/C18H18Cl2N2O4/c1-10-14(16(21-26-10)15-12(19)4-3-5-13(15)20)17(23)22-8-6-11(7-9-22)18(24)25-2/h3-5,11H,6-9H2,1-2H3 |
| InChIKey |
RZGOSMOWSHXSEJ-UHFFFAOYSA-N |
| Molecular Weight |
397.258 g/mol |
| SMILES |
C=1(C(=NOC1C)C1=C(Cl)C=CC=C1Cl)C(N1CCC(C(=O)OC)CC1)=O |
![Methyl 1-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-piperidinecarboxylate](/api/spectrum/CTR0CMjUvQr/structure.png?h=300&w=458 "Methyl 1-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-piperidinecarboxylate")
