Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(c(F)cc1F)CC(N)CCNC(=O)c3ccc(c2cccc(c2)C(F)(F)F)cc3 |
InChI | InChI | 1.03 | InChI=1S/C24H20F6N2O/c25-20-13-22(27)21(26)12-17(20)11-19(31)8-9-32-23(33)15-6-4-14(5-7-15)16-2-1-3-18(10-16)24(28,29)30/h1-7,10,12-13,19H,8-9,11,31H2,(H,32,33)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | UPWUIPKOGKXOGK-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCNC(=O)c1ccc(cc1)c2cccc(c2)C(F)(F)F)Cc3cc(F)c(F)cc3F |
SMILES | CACTVS | 3.370 | N[CH](CCNC(=O)c1ccc(cc1)c2cccc(c2)C(F)(F)F)Cc3cc(F)c(F)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCCC(Cc3cc(c(cc3F)F)F)N |