Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c2cc(OCCCc1c(nnc1C)C)c(F)cc2 |
InChI | InChI | 1.03 | InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20) |
InChIKey | InChI | 1.03 | WBFUHHBPNXWNCC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]nc(C)c1CCCOc2cc(ccc2F)C(O)=O |
SMILES | CACTVS | 3.370 | Cc1[nH]nc(C)c1CCCOc2cc(ccc2F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O |