Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc3cc(CCNC(C2=C(C(=O)N=C(c1c(cccc1F)F)N2)O)=O)ccc3O |
InChI | InChI | 1.03 | InChI=1S/C20H17F2N3O5/c1-30-14-9-10(5-6-13(14)26)7-8-23-19(28)16-17(27)20(29)25-18(24-16)15-11(21)3-2-4-12(15)22/h2-6,9,26-27H,7-8H2,1H3,(H,23,28)(H,24,25,29) |
InChIKey | InChI | 1.03 | YORHGKVJYLNOPJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3c(F)cccc3F)ccc1O |
SMILES | CACTVS | 3.385 | COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3c(F)cccc3F)ccc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O |