ethyl 2-[2-aminocarbonyl-4-methyl-5-piperidin-2-yl-3,6-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]propanoate

Systemtic Name: ethyl 2-[2-aminocarbonyl-4-methyl-5-piperidin-2-yl-3,6-bis[2,2,2-tris(fluoranyl)ethoxy]phenyl]propanoate Openeye Name: ethyl 2-[2-carbamoyl-4-methyl-5-(2-piperidyl)-3,6-bis(2,2,2-trifluoroethoxy)phenyl]propanoate CAS Name: 2-[2-carbamoyl-4-methyl-5-(2-piperidinyl)-3,6-bis(2,2,2-trifluoroethoxy)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-carbamoyl-4-methyl-5-piperidin-2-yl-3,6-bis(2,2,2-trifluoroethoxy)phenyl]propanoate Traditional Name: 2-[2-carbamoyl-4-methyl-5-(2-piperidyl)-3,6-bis(2,2,2-trifluoroethoxy)phenyl]propionic acid ethyl ester Formula: C22H28F6N2O5 MolecularWeight: 514.458539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=C(C(=C(C(=C1OCC(F)(F)F)C2CCCCN2)C)OCC(F)(F)F)C(=O)N

Isomeric SMILES

CCOC(=O)C(C)C1=C(C(=C(C(=C1OCC(F)(F)F)C2CCCCN2)C)OCC(F)(F)F)C(=O)N

InChI

InChI=1S/C22H28F6N2O5/c1-4-33-20(32)12(3)15-16(19(29)31)17(34-9-21(23,24)25)11(2)14(13-7-5-6-8-30-13)18(15)35-10-22(26,27)28/h12-13,30H,4-10H2,1-3H3,(H2,29,31)