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

Systemtic Name: methyl 5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoate Openeye Name: methyl 5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoate CAS Name: 5-cyano-2-[[(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoate Traditional Name: 5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]benzoic acid methyl ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-26-14-25-12-20(26)21(17-6-3-15(10-23)4-7-17)29-13-18-8-5-16(11-24)9-19(18)22(27)28-2/h3-9,12,14,21H,13H2,1-2H3