| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(OCCc2cccc(NC(=O)C=C)c2)c(Oc2cc(C#N)cc(Cl)c2)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C24H18Cl2N2O3/c1-2-24(29)28-20-5-3-4-16(11-20)8-9-30-23-14-18(25)6-7-22(23)31-21-12-17(15-27)10-19(26)13-21/h2-7,10-14H,1,8-9H2,(H,28,29) |
| InChIKey | InChI | 1.06 | JKEJVDFTNRUUBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCc3cccc(NC(=O)C=C)c3)c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCc3cccc(NC(=O)C=C)c3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1cccc(c1)CCOc2cc(ccc2Oc3cc(cc(c3)Cl)C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1cccc(c1)CCOc2cc(ccc2Oc3cc(cc(c3)Cl)C#N)Cl |
