9UQ
Summary
| Name: | (3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione |
| Formula: | C13 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 232.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | ROBVIMPUHSLWNV-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@]1(CCC(=O)NC1=O)c2ccc(N)cc2 |
| SMILES | CACTVS | 3.385 | CC[C]1(CCC(=O)NC1=O)c2ccc(N)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC1(CCC(=O)NC1=O)c2ccc(cc2)N |
