Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LOQ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
2 InChIKey InChI 1.03 IDSFKFXFMNGXCK-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1ccc(cc1)N2C(=O)CCC2=O
4 SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)N2C(=O)CCC2=O
5 Canonical SMILES CACTVS 3.385 Cc1ccc(cc1)N2C(=O)CCC2=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)N2C(=O)CCC2=O