| PDB CCD ID: | A1D5U |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H19 N O2 |
| InChI: | InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 |
| InChIKey: | DUGOZIWVEXMGBE-CHWSQXEVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COC(=O)[CH]([CH]1CCCCN1)c2ccccc2 | | CACTVS 3.385 | COC(=O)[C@@H]([C@H]1CCCCN1)c2ccccc2 | | OpenEye OEToolkits 2.0.7 | COC(=O)[C@H](c1ccccc1)[C@H]2CCCCN2 | | OpenEye OEToolkits 2.0.7 | COC(=O)C(c1ccccc1)C2CCCCN2 |
|
| Name: | methyl (2~{R})-2-phenyl-2-[(2~{R})-piperidin-2-yl]ethanoate;
Dexmethylphenidate |
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