![2-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid](/api/spectrum/BtjZFowi5lB/structure.png?h=300&w=458 "2-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid")
| SpectraBase Compound ID | CB3iLEzihvD |
|---|---|
| InChI | InChI=1S/C20H23F3N2O4/c1-11-13(16-10-12(29-20(21,22)23)6-7-17(16)25-11)8-9-24-18(26)14-4-2-3-5-15(14)19(27)28/h6-7,10,14-15,25H,2-5,8-9H2,1H3,(H,24,26)(H,27,28) |
| InChIKey | JZJQBTXPIBBIKJ-UHFFFAOYSA-N |
| Mol Weight | 412.41 g/mol |
| Molecular Formula | C20H23F3N2O4 |
| Exact Mass | 412.160992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtjZFowi5lB |
|---|---|
| Name | 2-[2-[2-Methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.160991714 u |
| Formula | C20H23F3N2O4 |
| InChI | InChI=1S/C20H23F3N2O4/c1-11-13(16-10-12(29-20(21,22)23)6-7-17(16)25-11)8-9-24-18(26)14-4-2-3-5-15(14)19(27)28/h6-7,10,14-15,25H,2-5,8-9H2,1H3,(H,24,26)(H,27,28) |
| InChIKey | JZJQBTXPIBBIKJ-UHFFFAOYSA-N |
| Molecular Weight | 412.409 g/mol |
| SMILES | C1CCC(C(NCCC2=C(NC3=C2C=C(OC(F)(F)F)C=C3)C)=O)C(C(=O)O)C1 |