methyl 3,3-dicyano-2-[(3-methylimidazol-4-yl)methyl]pentanoate

Systemtic Name: methyl 3,3-dicyano-2-[(3-methylimidazol-4-yl)methyl]pentanoate Openeye Name: methyl 3,3-dicyano-2-[(3-methylimidazol-4-yl)methyl]pentanoate CAS Name: 3,3-dicyano-2-[(3-methyl-4-imidazolyl)methyl]pentanoic acid methyl ester IUPAC Name: methyl 3,3-dicyano-2-[(3-methylimidazol-4-yl)methyl]pentanoate Traditional Name: 3,3-dicyano-2-[(3-methylimidazol-4-yl)methyl]valeric acid methyl ester Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C#N)C(CC1=CN=CN1C)C(=O)OC

Isomeric SMILES

CCC(C#N)(C#N)C(CC1=CN=CN1C)C(=O)OC

InChI

InChI=1S/C13H16N4O2/c1-4-13(7-14,8-15)11(12(18)19-3)5-10-6-16-9-17(10)2/h6,9,11H,4-5H2,1-3H3