| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccccc1OC)N1CC(CCC1C)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H22N2O3/c1-11-7-8-13(16(17)20)10-18(11)15(19)9-12-5-3-4-6-14(12)21-2/h3-6,11,13H,7-10H2,1-2H3,(H2,17,20)/t11-,13+/m1/s1 |
| InChIKey | InChI | 1.06 | XJRJYHVAUXLXKS-YPMHNXCESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CC(=O)N2C[C@H](CC[C@@H]2C)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1CC(=O)N2C[CH](CC[CH]2C)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1CC[C@@H](CN1C(=O)Cc2ccccc2OC)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CCC(CN1C(=O)Cc2ccccc2OC)C(=O)N |
