Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H19FN2O4/c1-9(2)6-15-21-13-8-14(23)17(24)18(25)16(13)19(26)22(15)11-4-5-12(20)10(3)7-11/h4-5,7-9,23-25H,6H2,1-3H3 |
InChIKey | InChI | 1.06 | FZPIZTYHLRGZPR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc(F)c(C)c3 |
SMILES | CACTVS | 3.385 | CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc(F)c(C)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1F)N2C(=Nc3cc(c(c(c3C2=O)O)O)O)CC(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1F)N2C(=Nc3cc(c(c(c3C2=O)O)O)O)CC(C)C |