Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H23NO4/c1-22(2)12-11-16-19(25-3)10-7-15(21(16)27-22)18(24)8-5-14-6-9-20(26-4)17(23)13-14/h5-13H,23H2,1-4H3/b8-5+ |
InChIKey | InChI | 1.03 | IUIOXMRMRADSKI-VMPITWQZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(/C=C/C(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1N |
SMILES | CACTVS | 3.385 | COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)N)OC)OC)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C=Cc2c(ccc(c2O1)C(=O)C=Cc3ccc(c(c3)N)OC)OC)C |