NBF
Summary
| Name: | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID |
| Formula: | C14 H16 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 273.092 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ({[(2-ethoxynaphthalen-1-yl)carbonyl]amino}methyl)boronic acid |
| OpenEye OEToolkits | 1.5.0 | [(2-ethoxynaphthalen-1-yl)carbonylamino]methylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1c2c(ccc1OCC)cccc2)NCB(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOc1ccc2ccccc2c1C(=O)NCB(O)O |
| SMILES | CACTVS | 3.341 | CCOc1ccc2ccccc2c1C(=O)NCB(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | VGXJNGVFESCMME-UHFFFAOYSA-N |
