Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1 |
InChI | InChI | 1.03 | InChI=1S/C18H22N2O3/c1-22-16-7-3-14(4-8-16)11-19-13-18(21)20-12-15-5-9-17(23-2)10-6-15/h3-10,19H,11-13H2,1-2H3,(H,20,21) |
InChIKey | InChI | 1.03 | RXVZBFSJKBZCTM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC |