Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : UVD    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
2 InChIKey InChI 1.03 ZWUBZIQOXMHHOZ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2
4 SMILES CACTVS 3.385 COC(=O)Nc1ccc(Cc2ccncc2)cc1
5 SMILES OpenEye OEToolkits 2.0.7 COC(=O)Nc1ccc(cc1)Cc2ccncc2
6 Canonical SMILES CACTVS 3.385 COC(=O)Nc1ccc(Cc2ccncc2)cc1
7 Canonical SMILES OpenEye OEToolkits 2.0.7 COC(=O)Nc1ccc(cc1)Cc2ccncc2