Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21) |
InChIKey | InChI | 1.03 | LDHIKLLVVUEYPE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23 |
SMILES | CACTVS | 3.385 | COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O |