tert-butyl 4-[2-(3-cyanophenyl)-3-[[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-propanoyl]amino]butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-cyanophenyl)-3-[[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-propanoyl]amino]butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-cyanophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propanoyl]amino]butyl]piperidine-1-carboxylate CAS Name: 4-[2-(3-cyanophenyl)-3-[[2-methyl-1-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]amino]butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-cyanophenyl)-3-[[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanoyl]amino]butyl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-cyanophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]oxy]propanoyl]amino]butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H39F3N4O4 MolecularWeight: 588.66097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C(CC1CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C31H39F3N4O4/c1-20(37-27(39)30(5,6)41-26-11-10-24(19-36-26)31(32,33)34)25(23-9-7-8-22(16-23)18-35)17-21-12-14-38(15-13-21)28(40)42-29(2,3)4/h7-11,16,19-21,25H,12-15,17H2,1-6H3,(H,37,39)