Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC)C(F)(F)C(O)C(N)CC1CCCCC1 |
SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)C(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1 |
SMILES | CACTVS | 3.370 | CNC(=O)C(F)(F)[CH](O)[CH](N)CC1CCCCC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | CNC(=O)C(C(C(CC1CCCCC1)N)O)(F)F |
InChI | InChI | 1.03 | InChI=1S/C12H22F2N2O2/c1-16-11(18)12(13,14)10(17)9(15)7-8-5-3-2-4-6-8/h8-10,17H,2-7,15H2,1H3,(H,16,18)/t9-,10+/m0/s1 |
InChIKey | InChI | 1.03 | ZJXKKRMJDAUFQJ-VHSXEESVSA-N |