2-(2-bromophenyl)-2-[2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]ethanoic acid

Systemtic Name: 2-(2-bromophenyl)-2-[2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]ethanoic acid Openeye Name: 2-(2-bromophenyl)-2-[2-cyano-5-(4-pyridylmethoxy)phenoxy]acetic acid CAS Name: 2-(2-bromophenyl)-2-[2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]acetic acid IUPAC Name: 2-(2-bromophenyl)-2-[2-cyano-5-(pyridin-4-ylmethoxy)phenoxy]acetic acid Traditional Name: 2-(2-bromophenyl)-2-[2-cyano-5-(4-pyridylmethoxy)phenoxy]acetic acid Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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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)C#N)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O4/c22-18-4-2-1-3-17(18)20(21(25)26)28-19-11-16(6-5-15(19)12-23)27-13-14-7-9-24-10-8-14/h1-11,20H,13H2,(H,25,26)