Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H21NO4/c1-2-3-6-9-23-13-16(15-7-4-5-8-17(15)23)20-12-19(26)22-18(25)10-14(24)11-21(22)27-20/h4-5,7-8,10-13,24-25H,2-3,6,9H2,1H3 |
InChIKey | InChI | 1.06 | RZGZFONKKPMOLH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCn1cc(C2=CC(=O)c3c(O)cc(O)cc3O2)c4ccccc14 |
SMILES | CACTVS | 3.385 | CCCCCn1cc(C2=CC(=O)c3c(O)cc(O)cc3O2)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCn1cc(c2c1cccc2)C3=CC(=O)c4c(cc(cc4O3)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCn1cc(c2c1cccc2)C3=CC(=O)c4c(cc(cc4O3)O)O |