NBO
Summary
| Name: | nabumetone |
| Synonyms: | 4-(6-methoxynaphthalen-2-yl)butan-2-one |
| Formula: | C15 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 228.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(6-methoxynaphthalen-2-yl)butan-2-one |
| OpenEye OEToolkits | 1.7.2 | 4-(6-methoxynaphthalen-2-yl)butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)CCc1ccc2c(c1)ccc(OC)c2 |
| InChI | InChI | 1.03 | InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | BLXXJMDCKKHMKV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2cc(CCC(C)=O)ccc2c1 |
| SMILES | CACTVS | 3.370 | COc1ccc2cc(CCC(C)=O)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(=O)CCc1ccc2cc(ccc2c1)OC |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(=O)CCc1ccc2cc(ccc2c1)OC |
