Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H22N2O5/c1-27-16-4-2-15(3-5-16)23-10-8-22(9-11-23)13-14-12-19(25)28-21-17(14)6-7-18(24)20(21)26/h2-7,12,24,26H,8-11,13H2,1H3 |
InChIKey | InChI | 1.03 | NSCKGTDRMZINFP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c(O)c(O)ccc34 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c(O)c(O)ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O |
SMILES | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O |