Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC)C(N)Cc2ccc(OCc1ccccc1)cc2 |
SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 |
SMILES | CACTVS | 3.370 | CNC(=O)[CH](N)Cc1ccc(OCc2ccccc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CNC(=O)C(Cc1ccc(cc1)OCc2ccccc2)N |
InChI | InChI | 1.03 | InChI=1S/C17H20N2O2/c1-19-17(20)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3,(H,19,20)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | ZMTWQALRHGTUHL-INIZCTEOSA-N |