Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(/c2c(C(=O)NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O |
InChI | InChI | 1.03 | InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17-/t18-/m0/s1 |
InChIKey | InChI | 1.03 | UXJFDYIHRJGPFS-PTXYPZRJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O |