methyl 3-[[[4-cyano-3-(2-methylphenyl)phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]benzoate

Systemtic Name: methyl 3-[[[4-cyano-3-(2-methylphenyl)phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]benzoate Openeye Name: methyl 3-[[[4-cyano-3-(o-tolyl)phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]benzoate CAS Name: 3-[[[4-cyano-3-(2-methylphenyl)phenyl]-(3-methyl-4-imidazolyl)methoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-cyano-3-(2-methylphenyl)phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]benzoate Traditional Name: 3-[[[4-cyano-3-(o-tolyl)phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]benzoic acid methyl ester Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CN3C)OCC4=CC=CC(=C4)C(=O)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CN3C)OCC4=CC=CC(=C4)C(=O)OC)C#N

InChI

InChI=1S/C28H25N3O3/c1-19-7-4-5-10-24(19)25-14-21(11-12-23(25)15-29)27(26-16-30-18-31(26)2)34-17-20-8-6-9-22(13-20)28(32)33-3/h4-14,16,18,27H,17H2,1-3H3