Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1cccc(c1)C(COC)NC(=O)CC1c2cc(F)ccc2NC1=O |
InChI | InChI | 1.06 | InChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1 |
InChIKey | InChI | 1.06 | HRBNXNLHEPAYDR-RDJZCZTQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc12)c3cccc(Br)c3 |
SMILES | CACTVS | 3.385 | COC[CH](NC(=O)C[CH]1C(=O)Nc2ccc(F)cc12)c3cccc(Br)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC[C@@H](c1cccc(c1)Br)NC(=O)C[C@H]2c3cc(ccc3NC2=O)F |
SMILES | OpenEye OEToolkits | 2.0.7 | COCC(c1cccc(c1)Br)NC(=O)CC2c3cc(ccc3NC2=O)F |