Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N3C(C(=O)N2Cc1ccccc1CC2)CCCC3)COc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C23H26N2O3/c26-22(17-28-20-10-2-1-3-11-20)25-14-7-6-12-21(25)23(27)24-15-13-18-8-4-5-9-19(18)16-24/h1-5,8-11,21H,6-7,12-17H2/t21-/m1/s1 |
InChIKey | InChI | 1.03 | CJQMUNJPWNNVDR-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(COc1ccccc1)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3 |
SMILES | CACTVS | 3.370 | O=C(COc1ccccc1)N2CCCC[CH]2C(=O)N3CCc4ccccc4C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)OCC(=O)N2CCCCC2C(=O)N3CCc4ccccc4C3 |