Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H28F2N2O5/c1-14-11-25(12-15(2)28-14)20(26)13-27-24-10-16-7-8-18(30-21(22)23)19(9-16)29-17-5-3-4-6-17/h7-10,14-15,17,21H,3-6,11-13H2,1-2H3/b24-10+/t14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | YRGXPDDUADZCCU-BAMVQPFASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(C[C@@H](C)O1)C(=O)CO/N=C/c2ccc(OC(F)F)c(OC3CCCC3)c2 |
SMILES | CACTVS | 3.385 | C[CH]1CN(C[CH](C)O1)C(=O)CON=Cc2ccc(OC(F)F)c(OC3CCCC3)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(CC(O1)C)C(=O)CON=Cc2ccc(c(c2)OC3CCCC3)OC(F)F |