VQ2
Summary
| Name: | [4-(diethylcarbamoyl)phenyl]boronic acid |
| Formula: | C11 H16 B N O3 |
| Formal charge: | 0 |
| Formula weight: | 221.061 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-(diethylcarbamoyl)phenyl]boronic acid |
| OpenEye OEToolkits | 2.0.7 | [4-(diethylcarbamoyl)phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(CC)CC)c1ccc(cc1)B(O)O |
| InChI | InChI | 1.06 | InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.06 | ZCGVBHIMRVYWOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C(=O)c1ccc(cc1)B(O)O |
| SMILES | CACTVS | 3.385 | CCN(CC)C(=O)c1ccc(cc1)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)C(=O)N(CC)CC)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)C(=O)N(CC)CC)(O)O |
