2-[4-(4-heptoxyphenyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(4-heptoxyphenyl)phenyl]ethanenitrile Openeye Name: 2-[4-(4-heptoxyphenyl)phenyl]acetonitrile CAS Name: 2-[4-(4-heptoxyphenyl)phenyl]acetonitrile IUPAC Name: 2-[4-(4-heptoxyphenyl)phenyl]acetonitrile Traditional Name: 2-[4-(4-heptoxyphenyl)phenyl]acetonitrile Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H25NO/c1-2-3-4-5-6-17-23-21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-16-22/h7-14H,2-6,15,17H2,1H3