| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H30N2O5/c1-20(32)30-17-25(14-22-15-26(34-2)28-27(16-22)35-19-36-28)31(29(33)23-11-7-4-8-12-23)18-24(30)13-21-9-5-3-6-10-21/h3-12,15-16,24-25H,13-14,17-19H2,1-2H3/t24-,25-/m0/s1 |
| InChIKey | InChI | 1.06 | FAJQATXXQQHVIW-DQEYMECFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C[C@H]2CN([C@H](CN2C(=O)c3ccccc3)Cc4ccccc4)C(C)=O)cc5OCOc15 |
| SMILES | CACTVS | 3.385 | COc1cc(C[CH]2CN([CH](CN2C(=O)c3ccccc3)Cc4ccccc4)C(C)=O)cc5OCOc15 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1C[C@@H](N(C[C@@H]1Cc2ccccc2)C(=O)c3ccccc3)Cc4cc5c(c(c4)OC)OCO5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CC(N(CC1Cc2ccccc2)C(=O)c3ccccc3)Cc4cc5c(c(c4)OC)OCO5 |
