Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O4/c24-18-5-1-14-11-16(3-4-17(14)18)22-7-9-23(10-8-22)21(25)15-2-6-19-20(12-15)27-13-26-19/h2-4,6,11-12H,1,5,7-10,13H2 |
InChIKey | InChI | 1.03 | JAFWBQRYWNPFPG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCc2cc(ccc12)N3CCN(CC3)C(=O)c4ccc5OCOc5c4 |
SMILES | CACTVS | 3.385 | O=C1CCc2cc(ccc12)N3CCN(CC3)C(=O)c4ccc5OCOc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2 |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2 |