2-[3-(cyanomethyl)-5-heptoxy-phenyl]ethanenitrile

Systemtic Name: 2-[3-(cyanomethyl)-5-heptoxy-phenyl]ethanenitrile Openeye Name: 2-[3-(cyanomethyl)-5-heptoxy-phenyl]acetonitrile CAS Name: 2-[3-(cyanomethyl)-5-heptoxyphenyl]acetonitrile IUPAC Name: 2-[3-(cyanomethyl)-5-heptoxyphenyl]acetonitrile Traditional Name: 2-[3-(cyanomethyl)-5-heptoxy-phenyl]acetonitrile Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=CC(=C1)CC#N)CC#N

Isomeric SMILES

CCCCCCCOC1=CC(=CC(=C1)CC#N)CC#N

InChI

InChI=1S/C17H22N2O/c1-2-3-4-5-6-11-20-17-13-15(7-9-18)12-16(14-17)8-10-19/h12-14H,2-8,11H2,1H3