Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(OC)N(CC(=O)O)Cc3cc(OCc1nc(oc1C)c2ccc(Cl)cc2)ccc3 |
SMILES_CANONICAL | CACTVS | 3.352 | COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)c3ccc(Cl)cc3)c1 |
SMILES | CACTVS | 3.352 | COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)c3ccc(Cl)cc3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) |
InChIKey | InChI | 1.03 | UJIBXDMNCMEJAY-UHFFFAOYSA-N |