Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1 |
InChIKey | InChI | 1.06 | FDORQEIHOKEJNX-HSZRJFAPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CC[C@@H](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O |
SMILES | CACTVS | 3.385 | CN(CC[CH](Oc1ccc(cc1)c2ccccc2)c3ccc(F)cc3)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC[C@H](c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCC(c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O |