PDB CCD ID: | IZP |
Number of entries in BioLiP: | 5 |
Chemical formula: | C13 H18 O2 |
InChI: | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1 |
InChIKey: | HEFNNWSXXWATRW-SNVBAGLBSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O=C(O)C(c1ccc(cc1)CC(C)C)C | OpenEye OEToolkits 1.7.2 | C[C@H](c1ccc(cc1)CC(C)C)C(=O)O | CACTVS 3.370 | CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O | OpenEye OEToolkits 1.7.2 | CC(C)Cc1ccc(cc1)C(C)C(=O)O | CACTVS 3.370 | CC(C)Cc1ccc(cc1)[CH](C)C(O)=O |
|
Name: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid; (R)-Ibuprofen |
ChEMBL: | CHEMBL427526 |
ZINC: | ZINC000000113398 |