S1E
Summary
| Name: | N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide |
| Synonyms: | 1-oxidanyl-N,N-bis(phenylmethyl)-3H-2,1-benzoxaborole-6-carboxamide |
| Formula: | C22 H20 B N O3 |
| Formal charge: | 0 |
| Formula weight: | 357.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-oxidanyl-~{N},~{N}-bis(phenylmethyl)-3~{H}-2,1-benzoxaborole-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H20BNO3/c25-22(19-11-12-20-16-27-23(26)21(20)13-19)24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2 |
| InChIKey | InChI | 1.03 | KHPGSFWNOIQUOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1OCc2ccc(cc12)C(=O)N(Cc3ccccc3)Cc4ccccc4 |
| SMILES | CACTVS | 3.385 | OB1OCc2ccc(cc12)C(=O)N(Cc3ccccc3)Cc4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O |
