methyl 6-cyano-6-pyridin-3-yl-hexanoate

Systemtic Name: methyl 6-cyano-6-pyridin-3-yl-hexanoate Openeye Name: methyl 6-cyano-6-(3-pyridyl)hexanoate CAS Name: 6-cyano-6-(3-pyridinyl)hexanoic acid methyl ester IUPAC Name: methyl 6-cyano-6-pyridin-3-ylhexanoate Traditional Name: 6-cyano-6-(3-pyridyl)hexanoic acid methyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(C#N)C1=CN=CC=C1

Isomeric SMILES

COC(=O)CCCCC(C#N)C1=CN=CC=C1

InChI

InChI=1S/C13H16N2O2/c1-17-13(16)7-3-2-5-11(9-14)12-6-4-8-15-10-12/h4,6,8,10-11H,2-3,5,7H2,1H3