Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 8RK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
2 InChIKey InChI 1.03 QPMPFAMMRAXUAV-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl
4 SMILES OpenEye OEToolkits 2.0.6 Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O
5 Canonical SMILES CACTVS 3.385 Cc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl
6 Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O