2-[3-chloranyl-2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-chlorophenyl)ethanoic acid

Systemtic Name: 2-[3-chloranyl-2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-chlorophenyl)ethanoic acid Openeye Name: 2-[3-chloro-2-cyano-5-(4-pyridylmethoxy)phenoxy]-2-(2-chlorophenyl)acetic acid CAS Name: 2-[3-chloro-2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-chlorophenyl)acetic acid IUPAC Name: 2-[3-chloro-2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]-2-(2-chlorophenyl)acetic acid Traditional Name: 2-[3-chloro-2-cyano-5-(4-pyridylmethoxy)phenoxy]-2-(2-chlorophenyl)acetic acid Formula: C21H14Cl2N2O4 MolecularWeight: 429.25286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)O)OC2=C(C(=CC(=C2)OCC3=CC=NC=C3)Cl)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)O)OC2=C(C(=CC(=C2)OCC3=CC=NC=C3)Cl)C#N)Cl

InChI

InChI=1S/C21H14Cl2N2O4/c22-17-4-2-1-3-15(17)20(21(26)27)29-19-10-14(9-18(23)16(19)11-24)28-12-13-5-7-25-8-6-13/h1-10,20H,12H2,(H,26,27)