Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(C1CC1)cccc(c2C(C)Oc3ccc5c(c3)c(C4CC4)c(cn5)[C@H]=[C@H]C(O)=O)Cl |
InChI | InChI | 1.03 | InChI=1S/C26H24ClNO3/c1-15(25-20(16-5-6-16)3-2-4-22(25)27)31-19-10-11-23-21(13-19)26(17-7-8-17)18(14-28-23)9-12-24(29)30/h2-4,9-17H,5-8H2,1H3,(H,29,30)/b12-9+/t15-/m0/s1 |
InChIKey | InChI | 1.03 | HOMQCLNBKVHZGD-RZXPCSSPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1ccc2ncc(/C=C/C(O)=O)c(C3CC3)c2c1)c4c(Cl)cccc4C5CC5 |
SMILES | CACTVS | 3.385 | C[CH](Oc1ccc2ncc(C=CC(O)=O)c(C3CC3)c2c1)c4c(Cl)cccc4C5CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)/C=C/C(=O)O)C5CC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)C=CC(=O)O)C5CC5 |