Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : VGZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H16N2O3/c1-11(19)17-13-9-7-12(8-10-13)16(20)18-14-5-3-4-6-15(14)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
2 InChIKey InChI 1.03 JJUACWJXQYGXEQ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1ccccc1NC(=O)c2ccc(NC(C)=O)cc2
4 SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2OC
5 Canonical SMILES CACTVS 3.385 COc1ccccc1NC(=O)c2ccc(NC(C)=O)cc2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2OC