| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1c(OC)cc2C=CN(C)C3Cc4ccc(OC)c(c4)Oc4ccc(cc4)CC4c5cc(Oc1c32)c(OC)cc5CCN4C |
| InChI | InChI | 1.06 | InChI=1S/C38H40N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,14,16,19-22,29-30H,13,15,17-18H2,1-6H3/t29-,30?/m0/s1 |
| InChIKey | InChI | 1.06 | OUHWUXGBWHCKDH-UFXYQILXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C[C@@H]3N(C)C=Cc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 |
| SMILES | CACTVS | 3.385 | COc1ccc2C[CH]3N(C)C=Cc4cc(OC)c(OC)c(Oc5cc6[CH](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5cc(ccc5OC)CC6c7c(cc(c(c7O3)OC)OC)C=CN6C)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c3cc2C1Cc4ccc(cc4)Oc5cc(ccc5OC)CC6c7c(cc(c(c7O3)OC)OC)C=CN6C)OC |
