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Molecule : 2B5

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C21H18N2O5/c1-27-16-6-7-17-14(9-16)8-15(23(17)12-20(24)25)11-22-21(26)19-10-13-4-2-3-5-18(13)28-19/h2-10H,11-12H2,1H3,(H,22,26)(H,24,25)
2	InChIKey	InChI	1.03	CYMXZVQAGCGDHU-UHFFFAOYSA-N
3	SMILES	CACTVS	3.352	COc1ccc2n(CC(O)=O)c(CNC(=O)c3oc4ccccc4c3)cc2c1
4	SMILES	OpenEye OEToolkits	1.7.0	COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3
5	Canonical SMILES	CACTVS	3.352	COc1ccc2n(CC(O)=O)c(CNC(=O)c3oc4ccccc4c3)cc2c1
6	Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3