Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3c(NC(=O)N(CCc1c(F)cccc1Cl)CCCc2ccc(OC(C(=O)O)(C)C)cc2)cccc3Cl |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc3cccc(Cl)c3Cl)cc1)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc3cccc(Cl)c3Cl)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36) |
InChIKey | InChI | 1.03 | YMWJDWJXIXITMD-UHFFFAOYSA-N |