Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H31N3O4/c1-27-21-7-6-17(14-22(21)29-19-4-2-3-5-19)20-8-9-25(23-20)16-18(26)15-24-10-12-28-13-11-24/h6-9,14,18-19,26H,2-5,10-13,15-16H2,1H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | LCRSUTYGKNCDER-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)c3ccn(C[C@@H](O)CN4CCOCC4)n3 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)c3ccn(C[CH](O)CN4CCOCC4)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1OC2CCCC2)c3ccn(n3)CC(CN4CCOCC4)O |