Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H19NO5/c1-13(20(22)26-18-9-6-17(7-10-18)21(23)24)14-3-4-16-12-19(25-2)8-5-15(16)11-14/h3-13,23-24H,1-2H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | DDQGDHCOPRIKDU-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc3ccc(cc3)N(O)O |
SMILES | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)[CH](C)C(=O)Oc3ccc(cc3)N(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O |