methyl 2-acetamido-3-[1-(cyanomethyl)imidazol-4-yl]propanoate

Systemtic Name: methyl 2-acetamido-3-[1-(cyanomethyl)imidazol-4-yl]propanoate Openeye Name: methyl 2-acetamido-3-[1-(cyanomethyl)imidazol-4-yl]propanoate CAS Name: 2-acetamido-3-[1-(cyanomethyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[1-(cyanomethyl)imidazol-4-yl]propanoate Traditional Name: 2-acetamido-3-[1-(cyanomethyl)imidazol-4-yl]propionic acid methyl ester Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN(C=N1)CC#N)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CN(C=N1)CC#N)C(=O)OC

InChI

InChI=1S/C11H14N4O3/c1-8(16)14-10(11(17)18-2)5-9-6-15(4-3-12)7-13-9/h6-7,10H,4-5H2,1-2H3,(H,14,16)