Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c1c(NC(CC(N1)C)=O)ccc2OC(C)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C18H20N2O2/c1-12-10-18(21)20-16-9-8-15(11-17(16)19-12)22-13(2)14-6-4-3-5-7-14/h3-9,11-13,19H,10H2,1-2H3,(H,20,21)/t12-,13-/m1/s1 |
InChIKey | InChI | 1.03 | ORPRVEZBBPKRRY-CHWSQXEVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2N1 |
SMILES | CACTVS | 3.385 | C[CH]1CC(=O)Nc2ccc(O[CH](C)c3ccccc3)cc2N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.4 | CC1CC(=O)Nc2ccc(cc2N1)OC(C)c3ccccc3 |