Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(Oc1ccc(cc1)CCOc3ccc(/N=N/c2ccccc2)cc3)(C)C |
InChI | InChI | 1.03 | InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+ |
InChIKey | InChI | 1.03 | HCISJKNVUOHNQX-OCEACIFDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(CCOc2ccc(cc2)N=Nc3ccccc3)cc1)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(CCOc2ccc(cc2)N=Nc3ccccc3)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)/N=N/c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)N=Nc3ccccc3 |