Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(c(F)c1)Nc4cc3c(C(=O)c2c(ccc(OCC(O)CO)c2)CC3)cc4 |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |
SMILES | CACTVS | 3.370 | OC[CH](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OCC(CO)O |
InChI | InChI | 1.03 | InChI=1S/C24H21F2NO4/c25-16-4-8-23(22(26)10-16)27-17-5-7-20-15(9-17)2-1-14-3-6-19(11-21(14)24(20)30)31-13-18(29)12-28/h3-11,18,27-29H,1-2,12-13H2/t18-/m1/s1 |
InChIKey | InChI | 1.03 | HXMGCTFLLWPVFM-GOSISDBHSA-N |