3-(4-hexoxy-2-methyl-phenyl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-hexoxy-2-methyl-phenyl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-hexoxy-2-methyl-benzoyl)benzonitrile CAS Name: 3-[(4-hexoxy-2-methylphenyl)-oxomethyl]benzonitrile IUPAC Name: 3-(4-hexoxy-2-methylbenzoyl)benzonitrile Traditional Name: 3-(4-hexoxy-2-methyl-benzoyl)benzonitrile Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C21H23NO2/c1-3-4-5-6-12-24-19-10-11-20(16(2)13-19)21(23)18-9-7-8-17(14-18)15-22/h7-11,13-14H,3-6,12H2,1-2H3