Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H24F2N2O4/c1-13-11-25(21(27)17-7-5-15(29-3)9-19(17)23)12-14(2)26(13)22(28)18-8-6-16(30-4)10-20(18)24/h5-10,13-14H,11-12H2,1-4H3/t13-,14-/m1/s1 |
InChIKey | InChI | 1.03 | AXEACVXVOQJBDU-ZIAGYGMSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(c(F)c1)C(=O)N2C[C@@H](C)N([C@H](C)C2)C(=O)c3ccc(OC)cc3F |
SMILES | CACTVS | 3.385 | COc1ccc(c(F)c1)C(=O)N2C[CH](C)N([CH](C)C2)C(=O)c3ccc(OC)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(C[C@H](N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CC(N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC |