PDB CCD ID: | YRG |
Number of entries in BioLiP: | 1 |
Chemical formula: | C15 H13 Cl O3 |
InChI: | InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1 |
InChIKey: | CPBLTMSKPQDJPW-AWEZNQCLSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | OC(=O)[CH](Cc1ccccc1)Oc2ccc(Cl)cc2 | CACTVS 3.341 | OC(=O)[C@H](Cc1ccccc1)Oc2ccc(Cl)cc2 | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)Cl | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)Cl | ACDLabs 10.04 | Clc2ccc(OC(C(=O)O)Cc1ccccc1)cc2 |
|
Name: | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid |
ChEMBL: | CHEMBL364748 |
DrugBank: | DB08760 |
ZINC: | ZINC000013671687 |