Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+/t16-,17+,19-/m1/s1 |
InChIKey | InChI | 1.03 | QBFMCJASXXCKML-QJCGALALSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(\C=N\OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1OC3CCCC3 |
SMILES | CACTVS | 3.385 | COc1ccc(C=NOC[CH](O)CN2C[CH](C)O[CH](C)C2)cc1OC3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(CC(O1)C)CC(CON=Cc2ccc(c(c2)OC3CCCC3)OC)O |