2-(4-heptoxyphenyl)ethanenitrile

Systemtic Name: 2-(4-heptoxyphenyl)ethanenitrile Openeye Name: 2-(4-heptoxyphenyl)acetonitrile CAS Name: 2-(4-heptoxyphenyl)acetonitrile IUPAC Name: 2-(4-heptoxyphenyl)acetonitrile Traditional Name: 2-(4-heptoxyphenyl)acetonitrile Formula: C15H21NO MolecularWeight: 231.33334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO/c1-2-3-4-5-6-13-17-15-9-7-14(8-10-15)11-12-16/h7-10H,2-6,11,13H2,1H3