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

Systemtic Name: methyl 3-[cyano-(4-cyanopyridin-3-yl)methyl]-4-methyl-pentanoate Openeye Name: methyl 3-[cyano-(4-cyano-3-pyridyl)methyl]-4-methyl-pentanoate CAS Name: 3-[cyano-(4-cyano-3-pyridinyl)methyl]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 3-[cyano-(4-cyanopyridin-3-yl)methyl]-4-methylpentanoate Traditional Name: 3-[cyano-(4-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(C=CN=C1)C#N

Isomeric SMILES

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

InChI

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