Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)C1CCN(CC1)c1nc2cc(OC)cc(OC)c2c(C)c1 |
InChI | InChI | 1.06 | InChI=1S/C20H26N2O4/c1-5-26-20(23)14-6-8-22(9-7-14)18-10-13(2)19-16(21-18)11-15(24-3)12-17(19)25-4/h10-12,14H,5-9H2,1-4H3 |
InChIKey | InChI | 1.06 | QMSAXOQPCCJWDP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C1CCN(CC1)c2cc(C)c3c(OC)cc(OC)cc3n2 |
SMILES | CACTVS | 3.385 | CCOC(=O)C1CCN(CC1)c2cc(C)c3c(OC)cc(OC)cc3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1CCN(CC1)c2cc(c3c(n2)cc(cc3OC)OC)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1CCN(CC1)c2cc(c3c(n2)cc(cc3OC)OC)C |