Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(Oc1cc(C)c(cc1)C#N)ccc(cc2)CC(=O)N3CCOCC3 |
InChI | InChI | 1.03 | InChI=1S/C20H20N2O3/c1-15-12-19(7-4-17(15)14-21)25-18-5-2-16(3-6-18)13-20(23)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3 |
InChIKey | InChI | 1.03 | QOJWBEUMAJACBY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Oc2ccc(CC(=O)N3CCOCC3)cc2)ccc1C#N |
SMILES | CACTVS | 3.385 | Cc1cc(Oc2ccc(CC(=O)N3CCOCC3)cc2)ccc1C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3 |