Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc(c(O)cc1O)c4noc3c4cc(NCCN2CCOCC2)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(O)c(cc1Cl)c2noc3ccc(NCCN4CCOCC4)cc23 |
SMILES | CACTVS | 3.341 | Oc1cc(O)c(cc1Cl)c2noc3ccc(NCCN4CCOCC4)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H20ClN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2 |
InChIKey | InChI | 1.03 | JLIRVZVVCCIAKG-UHFFFAOYSA-N |