Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 7IV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
2 InChIKey InChI 1.03 CELZHXIAORJPBI-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Clc1ccc(NC(=O)COCc2ccccc2)cc1
4 SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl
5 Canonical SMILES CACTVS 3.385 Clc1ccc(NC(=O)COCc2ccccc2)cc1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl