AAK
Summary
| Name: | ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
| Formula: | C16 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 290.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H22N2O3/c1-5-14(19)17-10-11-18(15(20)21-16(2,3)4)13-9-7-6-8-12(13)17/h6-9H,5,10-11H2,1-4H3 |
| InChIKey | InChI | 1.03 | CNDTUXVSHRKQMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C |
