Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H19FN2O3/c1-4-25-18-14(8-11(20)9-21-18)15-13-7-5-6-12(10(2)3)16(13)22-17(15)19(23)24/h5-10,22H,4H2,1-3H3,(H,23,24) |
InChIKey | InChI | 1.06 | JXCQXSXBRUCDNT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ncc(F)cc1c2c([nH]c3c(cccc23)C(C)C)C(O)=O |
SMILES | CACTVS | 3.385 | CCOc1ncc(F)cc1c2c([nH]c3c(cccc23)C(C)C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1c(cc(cn1)F)c2c3cccc(c3[nH]c2C(=O)O)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1c(cc(cn1)F)c2c3cccc(c3[nH]c2C(=O)O)C(C)C |