Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PQZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14)
2 InChIKey InChI 1.03 IRPSDSAYDMWHCN-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1cc(C(O)=O)c(C)n1CC2CC2
4 SMILES OpenEye OEToolkits 2.0.7 Cc1cc(c(n1CC2CC2)C)C(=O)O
5 Canonical SMILES CACTVS 3.385 Cc1cc(C(O)=O)c(C)n1CC2CC2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(c(n1CC2CC2)C)C(=O)O