XYX
Summary
| Name: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide |
| Formula: | C24 H23 B N O5 |
| Formal charge: | -1 |
| Formula weight: | 416.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1 |
| InChIKey | InChI | 1.06 | OUDDKMXJHGOSNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1(c2c(cccc2CCC(=O)Nc3cccc(c3)c4ccc(cc4)C(=O)C)CO1)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(c2c(cccc2CCC(=O)Nc3cccc(c3)c4ccc(cc4)C(=O)C)CO1)(O)O |
