| PDB CCD ID: | WEA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H18 O3 |
| InChI: | InChI=1S/C14H18O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-3,7-8,11,13H,4-6,9-10H2,(H,15,16)/t11-,13-/m0/s1 |
| InChIKey: | HHDLMNMQVNXMOO-AAEUAGOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)C1CCCCC1COc1ccccc1 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)OC[C@@H]2CCCC[C@@H]2C(=O)O | | CACTVS 3.385 | OC(=O)[CH]1CCCC[CH]1COc2ccccc2 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)OCC2CCCCC2C(=O)O | | CACTVS 3.385 | OC(=O)[C@H]1CCCC[C@H]1COc2ccccc2 |
|
| Name: | (1S,2R)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid |
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