ethyl 5-[2-(piperidin-2-ylmethylcarbamoyl)-4-[2,2,2-tris(fluoranyl)ethoxy]phenoxy]pentanoate

Systemtic Name: ethyl 5-[2-(piperidin-2-ylmethylcarbamoyl)-4-[2,2,2-tris(fluoranyl)ethoxy]phenoxy]pentanoate Openeye Name: ethyl 5-[2-(2-piperidylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenoxy]pentanoate CAS Name: 5-[2-[oxo-(2-piperidinylmethylamino)methyl]-4-(2,2,2-trifluoroethoxy)phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(piperidin-2-ylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenoxy]pentanoate Traditional Name: 5-[2-(2-piperidylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenoxy]valeric acid ethyl ester Formula: C22H31F3N2O5 MolecularWeight: 460.48715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=C(C=C(C=C1)OCC(F)(F)F)C(=O)NCC2CCCCN2

Isomeric SMILES

CCOC(=O)CCCCOC1=C(C=C(C=C1)OCC(F)(F)F)C(=O)NCC2CCCCN2

InChI

InChI=1S/C22H31F3N2O5/c1-2-30-20(28)8-4-6-12-31-19-10-9-17(32-15-22(23,24)25)13-18(19)21(29)27-14-16-7-3-5-11-26-16/h9-10,13,16,26H,2-8,11-12,14-15H2,1H3,(H,27,29)