2-ethoxy-5-(4-hexylphenyl)benzenecarbonitrile

Systemtic Name: 2-ethoxy-5-(4-hexylphenyl)benzenecarbonitrile Openeye Name: 2-ethoxy-5-(4-hexylphenyl)benzonitrile CAS Name: 2-ethoxy-5-(4-hexylphenyl)benzonitrile IUPAC Name: 2-ethoxy-5-(4-hexylphenyl)benzonitrile Traditional Name: 2-ethoxy-5-(4-hexylphenyl)benzonitrile Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OCC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OCC)C#N

InChI

InChI=1S/C21H25NO/c1-3-5-6-7-8-17-9-11-18(12-10-17)19-13-14-21(23-4-2)20(15-19)16-22/h9-15H,3-8H2,1-2H3