Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(C(C)Oc1cc2c(cc1)ncc(c2C3CC3)[C@H]=CC(O)=O)c(c(ccc4Cl)N)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H20Cl2N2O3/c1-12(21-17(24)6-7-18(26)23(21)25)30-15-5-8-19-16(10-15)22(13-2-3-13)14(11-27-19)4-9-20(28)29/h4-13H,2-3,26H2,1H3,(H,28,29)/b9-4+/t12-/m0/s1 |
InChIKey | InChI | 1.03 | XJXAZWMUTUJRMD-KFRNIWOLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1ccc2ncc(/C=C/C(O)=O)c(C3CC3)c2c1)c4c(Cl)ccc(N)c4Cl |
SMILES | CACTVS | 3.385 | C[CH](Oc1ccc2ncc(C=CC(O)=O)c(C3CC3)c2c1)c4c(Cl)ccc(N)c4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)/C=C/C(=O)O)C4CC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)C=CC(=O)O)C4CC4 |