methyl 3-(2-cyanopropan-2-yl)-5-[(5-methylimidazol-1-yl)methyl]benzoate

Systemtic Name: methyl 3-(2-cyanopropan-2-yl)-5-[(5-methylimidazol-1-yl)methyl]benzoate Openeye Name: methyl 3-(1-cyano-1-methyl-ethyl)-5-[(5-methylimidazol-1-yl)methyl]benzoate CAS Name: 3-(2-cyanopropan-2-yl)-5-[(5-methyl-1-imidazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2-cyanopropan-2-yl)-5-[(5-methylimidazol-1-yl)methyl]benzoate Traditional Name: 3-(1-cyano-1-methyl-ethyl)-5-[(5-methylimidazol-1-yl)methyl]benzoic acid methyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CN1CC2=CC(=CC(=C2)C(=O)OC)C(C)(C)C#N

Isomeric SMILES

CC1=CN=CN1CC2=CC(=CC(=C2)C(=O)OC)C(C)(C)C#N

InChI

InChI=1S/C17H19N3O2/c1-12-8-19-11-20(12)9-13-5-14(16(21)22-4)7-15(6-13)17(2,3)10-18/h5-8,11H,9H2,1-4H3