Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(OC)c12 |
InChI | InChI | 1.06 | InChI=1S/C20H20N2O5/c1-25-15-7-3-4-8-16(15)27-11-10-21-20(24)13-12-18(23)22-14-6-5-9-17(26-2)19(13)14/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23) |
InChIKey | InChI | 1.06 | NXFNSWGPJUOQPY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(OC)c23 |
SMILES | CACTVS | 3.385 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(OC)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)OC |