| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H22N2O3/c1-14(24)23-19-9-5-4-8-18(19)22(13-20(23)15-10-11-15)12-16-6-2-3-7-17(16)21(25)26/h2-9,15,20H,10-13H2,1H3,(H,25,26)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | PPKDQAUERJXIAY-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1[C@H](CN(Cc2ccccc2C(O)=O)c3ccccc13)C4CC4 |
| SMILES | CACTVS | 3.385 | CC(=O)N1[CH](CN(Cc2ccccc2C(O)=O)c3ccccc13)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1c2ccccc2N(C[C@@H]1C3CC3)Cc4ccccc4C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1c2ccccc2N(CC1C3CC3)Cc4ccccc4C(=O)O |
