Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC)C(=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23) |
InChIKey | InChI | 1.03 | GFOBMGVVDGTGAJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C(C)=O |
SMILES | CACTVS | 3.385 | CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C |