Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc(cc1)Br)C(C(NO)=O)NC(=O)OC(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | PTGPKEUQHUZVQH-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N[C@@H](C(=O)NO)c1ccc(Br)cc1 |
SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(Br)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)OC(=O)NC(c1ccc(cc1)Br)C(=O)NO |