Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H23N3O5/c1-4-31-21-8-7-16(14(2)29)13-20(21)17-10-18(23-15(3)33-28-24(23)26)12-19(11-17)27-25(30)22-6-5-9-32-22/h5-13H,4H2,1-3H3,(H2,26,28)(H,27,30) |
InChIKey | InChI | 1.03 | QBKCNTCHKRMYPR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c(C)onc4N)C(C)=O |
SMILES | CACTVS | 3.385 | CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c(C)onc4N)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C |