Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(NC2Cc3c4ccccc4[NH]c3CC2)c(c1)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C20H17F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-5,7,9,12,24-25H,6,8,10H2,(H,26,27)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | XHQVLQUSWZJCCC-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1N[C@@H]2CCc3[nH]c4ccccc4c3C2)C(F)(F)F |
SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1N[CH]2CCc3[nH]c4ccccc4c3C2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c([nH]2)CC[C@H](C3)Nc4ccc(cc4C(=O)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3c([nH]2)CCC(C3)Nc4ccc(cc4C(=O)O)C(F)(F)F |