Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27) |
InChIKey | InChI | 1.03 | PQGCMFVNJWTUFH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O |
SMILES | OpenEye OEToolkits | 2.0.4 | CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O |