Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc(c(O)cc1O)c2onc(C(=O)NCC)c2c3ccc(cc3)CN4CCOCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CCNC(=O)c1noc(c2cc(Cl)c(O)cc2O)c1c3ccc(CN4CCOCC4)cc3 |
SMILES | CACTVS | 3.341 | CCNC(=O)c1noc(c2cc(Cl)c(O)cc2O)c1c3ccc(CN4CCOCC4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30) |
InChIKey | InChI | 1.03 | APGOABVITLQCKW-UHFFFAOYSA-N |