methyl 4-[(2-butyl-4-cyano-imidazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-butyl-4-cyano-imidazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-butyl-4-cyano-imidazol-1-yl)methyl]benzoate CAS Name: 4-[(2-butyl-4-cyano-1-imidazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-butyl-4-cyanoimidazol-1-yl)methyl]benzoate Traditional Name: 4-[(2-butyl-4-cyano-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C(=O)OC)C#N

InChI

InChI=1S/C17H19N3O2/c1-3-4-5-16-19-15(10-18)12-20(16)11-13-6-8-14(9-7-13)17(21)22-2/h6-9,12H,3-5,11H2,1-2H3