Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C26H22N2O5/c1-16-23(25(31)26(27)32)24-20(12-7-13-21(24)33-15-22(29)30)28(16)14-18-10-5-6-11-19(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30) |
InChIKey | InChI | 1.03 | KFJOAXDOAYZVOY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(Cc2ccccc2c3ccccc3)c4cccc(OCC(O)=O)c4c1C(=O)C(N)=O |
SMILES | CACTVS | 3.385 | Cc1n(Cc2ccccc2c3ccccc3)c4cccc(OCC(O)=O)c4c1C(=O)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N |