Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)COc2cc(c1ncc(cc1)C(=O)O)cc(F)c2 |
InChI | InChI | 1.03 | InChI=1S/C14H10FNO5/c15-10-3-9(4-11(5-10)21-7-13(17)18)12-2-1-8(6-16-12)14(19)20/h1-6H,7H2,(H,17,18)(H,19,20) |
InChIKey | InChI | 1.03 | JGGHMGTXTAKFQV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)COc1cc(F)cc(c1)c2ccc(cn2)C(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)COc1cc(F)cc(c1)c2ccc(cn2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O |