methyl 3-[cyano-(2-cyanopyridin-3-yl)methyl]-4-methyl-pentanoate

Systemtic Name: methyl 3-[cyano-(2-cyanopyridin-3-yl)methyl]-4-methyl-pentanoate Openeye Name: methyl 3-[cyano-(2-cyano-3-pyridyl)methyl]-4-methyl-pentanoate CAS Name: 3-[cyano-(2-cyano-3-pyridinyl)methyl]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 3-[cyano-(2-cyanopyridin-3-yl)methyl]-4-methylpentanoate Traditional Name: 3-[cyano-(2-cyano-3-pyridyl)methyl]-4-methyl-valeric acid methyl ester Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)OC)C(C#N)C1=C(N=CC=C1)C#N

Isomeric SMILES

CC(C)C(CC(=O)OC)C(C#N)C1=C(N=CC=C1)C#N

InChI

InChI=1S/C15H17N3O2/c1-10(2)12(7-15(19)20-3)13(8-16)11-5-4-6-18-14(11)9-17/h4-6,10,12-13H,7H2,1-3H3