methyl 7-cyano-7-pyridin-3-yl-heptanoate

Systemtic Name: methyl 7-cyano-7-pyridin-3-yl-heptanoate Openeye Name: methyl 7-cyano-7-(3-pyridyl)heptanoate CAS Name: 7-cyano-7-(3-pyridinyl)heptanoic acid methyl ester IUPAC Name: methyl 7-cyano-7-pyridin-3-ylheptanoate Traditional Name: 7-cyano-7-(3-pyridyl)enanthic acid methyl ester Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-18-14(17)8-4-2-3-6-12(10-15)13-7-5-9-16-11-13/h5,7,9,11-12H,2-4,6,8H2,1H3