methyl 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[(3-cyano-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)CCC#N

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)CCC#N

InChI

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