| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C39H44ClN3O6/c1-28-32(8-4-10-36(28)31-7-3-9-35(20-31)47-18-17-46-16-14-43-13-11-34(45)25-43)27-49-39-22-38(33(21-37(39)40)24-42-12-15-44)48-26-30-6-2-5-29(19-30)23-41/h2-10,19-22,34,42,44-45H,11-18,24-27H2,1H3/t34-/m1/s1 |
| InChIKey | InChI | 1.06 | NXKSKHKWKCOEGY-UUWRZZSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCO)cc2Cl)cccc1c4cccc(OCCOCCN5CC[C@@H](O)C5)c4 |
| SMILES | CACTVS | 3.385 | Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCO)cc2Cl)cccc1c4cccc(OCCOCCN5CC[CH](O)C5)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1c2cccc(c2)OCCOCCN3CC[C@H](C3)O)COc4cc(c(cc4Cl)CNCCO)OCc5cccc(c5)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1c2cccc(c2)OCCOCCN3CCC(C3)O)COc4cc(c(cc4Cl)CNCCO)OCc5cccc(c5)C#N |
