Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FVX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
2 InChIKey InChI 1.03 CJOFXWAVKWHTFT-XSFVSMFZSA-N
3 SMILES ACDLabs 12.01 FC(F)(F)c1ccc(\C(=N\OCCN)CCCCOC)cc1
4 SMILES CACTVS 3.370 COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F
5 SMILES OpenEye OEToolkits 1.7.6 COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F
6 Canonical SMILES CACTVS 3.370 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
7 Canonical SMILES OpenEye OEToolkits 1.7.6 COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F