Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1 |
InChIKey | InChI | 1.06 | AMAOXEGBJHLCSF-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2 |
SMILES | CACTVS | 3.385 | CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H]1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3ccc(c(c3)OC)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3ccc(c(c3)OC)C |