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

Systemtic Name: sodium 2-[2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-methylphenyl)ethanoate Openeye Name: sodium 2-[2-cyano-5-(4-pyridylmethoxy)phenoxy]-2-(o-tolyl)acetate CAS Name: sodium 2-[2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetate IUPAC Name: sodium 2-[2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetate Traditional Name: sodium 2-[2-cyano-5-(4-pyridylmethoxy)phenoxy]-2-(o-tolyl)acetate Formula: C22H17N2NaO4 MolecularWeight: 396.37115

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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)C#N.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4.Na/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16;/h2-12,21H,14H2,1H3,(H,25,26);/q;+1/p-1