[4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [4-[(E)-2-(4-pyridyl)vinyl]phenyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C22H13F6NO2 MolecularWeight: 437.334539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC=NC=C2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC=NC=C2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H13F6NO2/c23-21(24,25)17-11-16(12-18(13-17)22(26,27)28)20(30)31-19-5-3-14(4-6-19)1-2-15-7-9-29-10-8-15/h1-13H/b2-1+