Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCn1c5c(c(c1c2ccccc2)c3c(cncc3)OC)cc(C4CC4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30) |
InChIKey | InChI | 1.03 | XQDGPJKJSHQJFB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cnccc1c2c3cc(ccc3n(CCC(O)=O)c2c4ccccc4)C5CC5 |
SMILES | CACTVS | 3.385 | COc1cnccc1c2c3cc(ccc3n(CCC(O)=O)c2c4ccccc4)C5CC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5 |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5 |