Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H18BN2O5/c1-10-3-6-15(23-2)14(7-10)19-16(20)18-12-5-4-11-9-24-17(21,22)13(11)8-12/h3-8,21-22H,9H2,1-2H3,(H2,18,19,20)/q-1 |
InChIKey | InChI | 1.03 | DMOTUOXBEBOMAL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C)cc1NC(=O)Nc2ccc3CO[B-](O)(O)c3c2 |
SMILES | CACTVS | 3.385 | COc1ccc(C)cc1NC(=O)Nc2ccc3CO[B-](O)(O)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | [B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O |
SMILES | OpenEye OEToolkits | 2.0.5 | [B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O |