diethyl 3-(4-cyanophenyl)-2-ethanoyl-4-[[5-(trifluoromethyl)pyridin-3-yl]carbamoyl]pentanedioate

Systemtic Name: diethyl 3-(4-cyanophenyl)-2-ethanoyl-4-[[5-(trifluoromethyl)pyridin-3-yl]carbamoyl]pentanedioate Openeye Name: diethyl 2-acetyl-3-(4-cyanophenyl)-4-[[5-(trifluoromethyl)-3-pyridyl]carbamoyl]pentanedioate CAS Name: 2-acetyl-3-(4-cyanophenyl)-4-[oxo-[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyl-3-(4-cyanophenyl)-4-[[5-(trifluoromethyl)pyridin-3-yl]carbamoyl]pentanedioate Traditional Name: 2-acetyl-3-(4-cyanophenyl)-4-[[5-(trifluoromethyl)-3-pyridyl]carbamoyl]glutaric acid diethyl ester Formula: C25H24F3N3O6 MolecularWeight: 519.46977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)C#N)C(C(=O)NC2=CN=CC(=C2)C(F)(F)F)C(=O)OCC)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(C=C1)C#N)C(C(=O)NC2=CN=CC(=C2)C(F)(F)F)C(=O)OCC)C(=O)C

InChI

InChI=1S/C25H24F3N3O6/c1-4-36-23(34)19(14(3)32)20(16-8-6-15(11-29)7-9-16)21(24(35)37-5-2)22(33)31-18-10-17(12-30-13-18)25(26,27)28/h6-10,12-13,19-21H,4-5H2,1-3H3,(H,31,33)