2-[2-cyano-3-fluoranyl-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-methylphenyl)ethanoate

Systemtic Name: 2-[2-cyano-3-fluoranyl-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-methylphenyl)ethanoate Openeye Name: 2-[2-cyano-3-fluoro-5-(4-pyridylmethoxy)phenoxy]-2-(o-tolyl)acetate CAS Name: 2-[2-cyano-3-fluoro-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetate IUPAC Name: 2-[2-cyano-3-fluoro-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetate Traditional Name: 2-[2-cyano-3-fluoro-5-(4-pyridylmethoxy)phenoxy]-2-(o-tolyl)acetate Formula: C22H16FN2O4- MolecularWeight: 391.371843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)[O-])OC2=C(C(=CC(=C2)OCC3=CC=NC=C3)F)C#N

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)[O-])OC2=C(C(=CC(=C2)OCC3=CC=NC=C3)F)C#N

InChI

InChI=1S/C22H17FN2O4/c1-14-4-2-3-5-17(14)21(22(26)27)29-20-11-16(10-19(23)18(20)12-24)28-13-15-6-8-25-9-7-15/h2-11,21H,13H2,1H3,(H,26,27)/p-1