Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m0/s1 |
InChIKey | InChI | 1.03 | CLPZEFHDKKRVHY-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN([C@@H](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O |
SMILES | CACTVS | 3.385 | COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)C(N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4 |