methyl 8-cyano-8-pyridin-3-yl-octanoate

Systemtic Name: methyl 8-cyano-8-pyridin-3-yl-octanoate Openeye Name: methyl 8-cyano-8-(3-pyridyl)octanoate CAS Name: 8-cyano-8-(3-pyridinyl)octanoic acid methyl ester IUPAC Name: methyl 8-cyano-8-pyridin-3-yloctanoate Traditional Name: 8-cyano-8-(3-pyridyl)caprylic acid methyl ester Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2/c1-19-15(18)9-5-3-2-4-7-13(11-16)14-8-6-10-17-12-14/h6,8,10,12-13H,2-5,7,9H2,1H3