Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC3C(NCc1occc1)C4COC(C3N2CCCCC2)O4 |
InChI | InChI | 1.03 | InChI=1S/C16H24N2O4/c19-15-13(17-9-11-5-4-8-20-11)12-10-21-16(22-12)14(15)18-6-2-1-3-7-18/h4-5,8,12-17,19H,1-3,6-7,9-10H2/t12-,13-,14-,15+,16-/m1/s1 |
InChIKey | InChI | 1.03 | UGNVVIUBNSMYSH-DGXTUMSLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@H](NCc2occc2)[C@H]3CO[C@H](O3)[C@@H]1N4CCCCC4 |
SMILES | CACTVS | 3.385 | O[CH]1[CH](NCc2occc2)[CH]3CO[CH](O3)[CH]1N4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)CNC2C3COC(O3)C(C2O)N4CCCCC4 |