| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2 |
| InChI | InChI | 1.03 | InChI=1S/C17H23N3O3/c1-23-17(22)20(12-14-7-3-2-4-8-14)10-6-5-9-16-18-11-15(13-21)19-16/h2-4,7-8,11,21H,5-6,9-10,12-13H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | GXQBRZBQKFIKRS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)N(CCCCc1[nH]cc(CO)n1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | COC(=O)N(CCCCc1[nH]cc(CO)n1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2 |
