NPS
Summary
| Name: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
| Synonyms: | NAPROXEN |
| Formula: | C14 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 230.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.341 | COc1ccc2cc(ccc2c1)[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1ccc2cc(ccc2c1)OC)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | CMWTZPSULFXXJA-VIFPVBQESA-N |
