[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [3-cyano-6-(3-methoxyphenyl)pyridin-2-yl] 3-(trifluoromethyl)benzoate Openeye Name: [3-cyano-6-(3-methoxyphenyl)-2-pyridyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester IUPAC Name: [3-cyano-6-(3-methoxyphenyl)pyridin-2-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridyl] ester Formula: C21H13F3N2O3 MolecularWeight: 398.33473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O3/c1-28-17-7-3-4-13(11-17)18-9-8-15(12-25)19(26-18)29-20(27)14-5-2-6-16(10-14)21(22,23)24/h2-11H,1H3