(3-cyano-3-pyridin-2-yl-propyl) (E)-3-oxidanylidene-5-[3-(trifluoromethyl)phenyl]pent-4-enoate

Systemtic Name: (3-cyano-3-pyridin-2-yl-propyl) (E)-3-oxidanylidene-5-[3-(trifluoromethyl)phenyl]pent-4-enoate Openeye Name: [3-cyano-3-(2-pyridyl)propyl] (E)-3-oxo-5-[3-(trifluoromethyl)phenyl]pent-4-enoate CAS Name: (E)-3-oxo-5-[3-(trifluoromethyl)phenyl]-4-pentenoic acid [3-cyano-3-(2-pyridinyl)propyl] ester IUPAC Name: (3-cyano-3-pyridin-2-ylpropyl) (E)-3-oxo-5-[3-(trifluoromethyl)phenyl]pent-4-enoate Traditional Name: (E)-3-keto-5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid [3-cyano-3-(2-pyridyl)propyl] ester Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(CCOC(=O)CC(=O)C=CC2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=NC(=C1)C(CCOC(=O)CC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C21H17F3N2O3/c22-21(23,24)17-5-3-4-15(12-17)7-8-18(27)13-20(28)29-11-9-16(14-25)19-6-1-2-10-26-19/h1-8,10,12,16H,9,11,13H2/b8-7+