Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1ccc(cc1)C(NC(=O)c2cc(F)ccc2O)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2 |
SMILES | CACTVS | 3.341 | C[CH](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F |
InChI | InChI | 1.03 | InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | KFTNEILVDDUXGR-SECBINFHSA-N |