Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1c4cc(F)ccc4nc(c1)c3cc(c(Oc2ccccc2)cc3C)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C26H22FNO3/c1-15(2)19-13-20(16(3)11-25(19)31-18-7-5-4-6-8-18)24-14-22(26(29)30)21-12-17(27)9-10-23(21)28-24/h4-15H,1-3H3,(H,29,30) |
InChIKey | InChI | 1.03 | KOLKCHJGWGJCTG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1cc(c(C)cc1Oc2ccccc2)c3cc(C(O)=O)c4cc(F)ccc4n3 |
SMILES | CACTVS | 3.370 | CC(C)c1cc(c(C)cc1Oc2ccccc2)c3cc(C(O)=O)c4cc(F)ccc4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4 |