Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#C\C(=C(\O)C)C(=O)Nc2ccc(c1cc(OCC)ccc1)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CCOc1cccc(c1)c2ccc(NC(=O)\C(C#N)=C(\C)O)cc2 |
SMILES | CACTVS | 3.341 | CCOc1cccc(c1)c2ccc(NC(=O)C(C#N)=C(C)O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)\O)/C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1cccc(c1)c2ccc(cc2)NC(=O)C(=C(C)O)C#N |
InChI | InChI | 1.03 | InChI=1S/C19H18N2O3/c1-3-24-17-6-4-5-15(11-17)14-7-9-16(10-8-14)21-19(23)18(12-20)13(2)22/h4-11,22H,3H2,1-2H3,(H,21,23)/b18-13- |
InChIKey | InChI | 1.03 | RPILZQUCBKIPAZ-AQTBWJFISA-N |