Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)CNCCCCC(C(=O)NO)CC(OC)c2ccc(F)cc2 |
InChI | InChI | 1.03 | InChI=1S/C22H28F2N2O3/c1-29-21(17-7-11-20(24)12-8-17)14-18(22(27)26-28)4-2-3-13-25-15-16-5-9-19(23)10-6-16/h5-12,18,21,25,28H,2-4,13-15H2,1H3,(H,26,27)/t18-,21+/m0/s1 |
InChIKey | InChI | 1.03 | SZPWYHRMRFNOHH-GHTZIAJQSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H](C[C@H](CCCCNCc1ccc(F)cc1)C(=O)NO)c2ccc(F)cc2 |
SMILES | CACTVS | 3.370 | CO[CH](C[CH](CCCCNCc1ccc(F)cc1)C(=O)NO)c2ccc(F)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F |
SMILES | OpenEye OEToolkits | 1.7.6 | COC(CC(CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F |