3-[(3-hexanoylphenoxy)methyl]benzenecarbonitrile

Systemtic Name: 3-[(3-hexanoylphenoxy)methyl]benzenecarbonitrile Openeye Name: 3-[(3-hexanoylphenoxy)methyl]benzonitrile CAS Name: 3-[[3-(1-oxohexyl)phenoxy]methyl]benzonitrile IUPAC Name: 3-[(3-hexanoylphenoxy)methyl]benzonitrile Traditional Name: 3-[(3-caproylphenoxy)methyl]benzonitrile Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=CC=C1)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCCC(=O)C1=CC(=CC=C1)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H21NO2/c1-2-3-4-11-20(22)18-9-6-10-19(13-18)23-15-17-8-5-7-16(12-17)14-21/h5-10,12-13H,2-4,11,15H2,1H3