| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ccccc2)C3CCCC3)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m0/s1 |
| InChIKey | InChI | 1.03 | QBITUTDDFZQXDO-MHZLTWQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@](C1CCCC1)(C2CCN(CCCOc3ccc(cc3)C#N)CC2)c4ccccc4 |
| SMILES | CACTVS | 3.385 | O[C](C1CCCC1)(C2CCN(CCCOc3ccc(cc3)C#N)CC2)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O |
