| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=O)N(C3CNCC3N1Cc2cccc(c2)CO)Cc4cccc(c4)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | OCc1cccc(CN2[C@H]3CNC[C@@H]3N(Cc4cccc(CO)c4)C(=O)C2=O)c1 |
| SMILES | CACTVS | 3.370 | OCc1cccc(CN2[CH]3CNC[CH]3N(Cc4cccc(CO)c4)C(=O)C2=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)CO)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)CO)CN2C3CNCC3N(C(=O)C2=O)Cc4cccc(c4)CO |
| InChI | InChI | 1.03 | InChI=1S/C22H25N3O4/c26-13-17-5-1-3-15(7-17)11-24-19-9-23-10-20(19)25(22(29)21(24)28)12-16-4-2-6-18(8-16)14-27/h1-8,19-20,23,26-27H,9-14H2/t19-,20-/m0/s1 |
| InChIKey | InChI | 1.03 | BNGHHYKOKSEZPO-PMACEKPBSA-N |
