Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FG7    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
2 InChIKey InChI 1.03 ZMCBYSBVJIMENC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(OCC)c1cc(N)ccc1
4 SMILES CACTVS 3.370 CCOC(=O)c1cccc(N)c1
5 SMILES OpenEye OEToolkits 1.7.0 CCOC(=O)c1cccc(c1)N
6 Canonical SMILES CACTVS 3.370 CCOC(=O)c1cccc(N)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.0 CCOC(=O)c1cccc(c1)N