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Molecule : 820

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C23H26F3NO4/c1-3-11-31-20-10-5-15(12-16(4-2)22(29)30)13-18(20)14-27-21(28)17-6-8-19(9-7-17)23(24,25)26/h5-10,13,16H,3-4,11-12,14H2,1-2H3,(H,27,28)(H,29,30)/t16-/m0/s1
2	InChIKey	InChI	1.03	PBGXLTDXYAQRQY-INIZCTEOSA-N
3	SMILES	CACTVS	3.385	CCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F
4	SMILES	OpenEye OEToolkits	2.0.7	CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)CC(CC)C(=O)O
5	Canonical SMILES	CACTVS	3.385	CCCOc1ccc(C[C@H](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O