Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O |
SMILES | CACTVS | 3.370 | C[CH](Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | GOCUAJYOYBLQRH-MRVPVSSYSA-N |