methyl 5-(1-cyano-2-phenyl-ethyl)-1H-imidazole-4-carboxylate

Systemtic Name: methyl 5-(1-cyano-2-phenyl-ethyl)-1H-imidazole-4-carboxylate Openeye Name: methyl 5-(1-cyano-2-phenyl-ethyl)-1H-imidazole-4-carboxylate CAS Name: 5-(1-cyano-2-phenylethyl)-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(1-cyano-2-phenylethyl)-1H-imidazole-4-carboxylate Traditional Name: 5-(1-cyano-2-phenyl-ethyl)-1H-imidazole-4-carboxylic acid methyl ester Formula: C14H13N3O2 MolecularWeight: 255.27192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC=N1)C(CC2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)C1=C(NC=N1)C(CC2=CC=CC=C2)C#N

InChI

InChI=1S/C14H13N3O2/c1-19-14(18)13-12(16-9-17-13)11(8-15)7-10-5-3-2-4-6-10/h2-6,9,11H,7H2,1H3,(H,16,17)