Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c1ccccc1Cn3c2c(C(=O)O)cccc2c4c3CCCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4C(F)(F)F)c12 |
SMILES | CACTVS | 3.341 | OC(=O)c1cccc2c3CCCCc3n(Cc4ccccc4C(F)(F)F)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C21H18F3NO2/c22-21(23,24)17-10-3-1-6-13(17)12-25-18-11-4-2-7-14(18)15-8-5-9-16(19(15)25)20(26)27/h1,3,5-6,8-10H,2,4,7,11-12H2,(H,26,27) |
InChIKey | InChI | 1.03 | XAYKLHUEULGGGJ-UHFFFAOYSA-N |