Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c4ccccc4OCCNCC(O)COc3cccc2c3c1c(cccc1)n2)C |
InChI | InChI | 1.03 | InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | OGHNVEJMJSYVRP-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccccc1OCCNC[C@H](O)COc2cccc3[nH]c4ccccc4c23 |
SMILES | CACTVS | 3.370 | COc1ccccc1OCCNC[CH](O)COc2cccc3[nH]c4ccccc4c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O |