Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COCCc1ccc(cc1)CCCCCN1CC(O)C(O)C(O)C1CO |
InChI | InChI | 1.06 | InChI=1S/C20H33NO5/c1-26-12-10-16-8-6-15(7-9-16)5-3-2-4-11-21-13-18(23)20(25)19(24)17(21)14-22/h6-9,17-20,22-25H,2-5,10-14H2,1H3/t17-,18+,19-,20-/m1/s1 |
InChIKey | InChI | 1.06 | GOQWFJVPBWGABY-IYWMVGAKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCc1ccc(CCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |
SMILES | CACTVS | 3.385 | COCCc1ccc(CCCCCN2C[CH](O)[CH](O)[CH](O)[CH]2CO)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCc1ccc(cc1)CCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COCCc1ccc(cc1)CCCCCN2CC(C(C(C2CO)O)O)O |