Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(C)CCc1ccc(O)cc1)Cc3c2ccccc2nc3c4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](CCc1ccc(O)cc1)NC(=O)Cc2c([nH]c3ccccc23)c4ccccc4 |
SMILES | CACTVS | 3.341 | C[CH](CCc1ccc(O)cc1)NC(=O)Cc2c([nH]c3ccccc23)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | APLJSSOXDWUNGV-GOSISDBHSA-N |