Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c(cc3CCN(c1ccc(cc1)F)C(C)(c2ccc(cc2)[C@H]=[C@H]C(O)=O)c3c4)O |
InChI | InChI | 1.03 | InChI=1S/C25H22FNO3/c1-25(19-5-2-17(3-6-19)4-13-24(29)30)23-12-11-22(28)16-18(23)14-15-27(25)21-9-7-20(26)8-10-21/h2-13,16,28H,14-15H2,1H3,(H,29,30)/b13-4+/t25-/m1/s1 |
InChIKey | InChI | 1.03 | NZVCGXAIFBXHCL-UITUQSNXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(N(CCc2cc(O)ccc12)c3ccc(F)cc3)c4ccc(/C=C/C(O)=O)cc4 |
SMILES | CACTVS | 3.385 | C[C]1(N(CCc2cc(O)ccc12)c3ccc(F)cc3)c4ccc(C=CC(O)=O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)C=CC(=O)O |