5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoic acid

Systemtic Name: 5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoic acid Openeye Name: 5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoic acid CAS Name: 5-cyano-2-[[(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]benzoic acid IUPAC Name: 5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoic acid Traditional Name: 5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C21H16N4O3/c1-25-13-24-11-19(25)20(16-5-2-14(9-22)3-6-16)28-12-17-7-4-15(10-23)8-18(17)21(26)27/h2-8,11,13,20H,12H2,1H3,(H,26,27)