RXH
Naproxen Methyl Ester
| Created: | 2020-10-29 |
| Last modified: | 2021-03-03 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 34 |
| Chiral Atom Count | 1 |
| Bond Count | 35 |
| Aromatic Bond Count | 11 |
Chemical Component Summary | |
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| Name | Naproxen Methyl Ester |
| Synonyms | Methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate; 9899603; (S)-Methyl 2-(6-methoxynaphthalen-2-yl)propanoate; (S)-Naproxen Methyl Ester; methyl-naproxen |
| Systematic Name (OpenEye OEToolkits) | methyl (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate |
| Formula | C15 H16 O3 |
| Molecular Weight | 244.286 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](C)c1ccc2cc(OC)ccc2c1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc2cc(ccc2c1)OC)C(=O)OC |
| Canonical SMILES | CACTVS | 3.385 | COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZFYFBPCRUQZGJE-JTQLQIEISA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 9899603 |
| ChEMBL | CHEMBL1823699 |
| CCDC/CSD | PUMDUY |
| COD | 7221752 |
