Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C27H26N2O6/c1-5-29-27(32)25(17(4)35-29)20-12-19(13-21(14-20)28-26(31)24-8-7-11-34-24)22-15-18(16(3)30)9-10-23(22)33-6-2/h7-15H,5-6H2,1-4H3,(H,28,31) |
InChIKey | InChI | 1.03 | HJDBFGUURXLNGK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)C4=C(C)ON(CC)C4=O)C(C)=O |
SMILES | CACTVS | 3.385 | CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)C4=C(C)ON(CC)C4=O)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C |