| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C(=O)c1c[NH]c2ccccc21)N1CCCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C17H22N2O/c1-13(19-10-6-2-3-7-11-19)17(20)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,2-3,6-7,10-11H2,1H3/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | OLYBVEMMSRDXDJ-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N1CCCCCC1)C(=O)c2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | C[CH](N1CCCCCC1)C(=O)c2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3 |
