4-[3-(2,4-dimethylphenyl)propanoyl]benzenecarbonitrile

Systemtic Name: 4-[3-(2,4-dimethylphenyl)propanoyl]benzenecarbonitrile Openeye Name: 4-[3-(2,4-dimethylphenyl)propanoyl]benzonitrile CAS Name: 4-[3-(2,4-dimethylphenyl)-1-oxopropyl]benzonitrile IUPAC Name: 4-[3-(2,4-dimethylphenyl)propanoyl]benzonitrile Traditional Name: 4-[3-(2,4-dimethylphenyl)propanoyl]benzonitrile Formula: C18H17NO MolecularWeight: 263.33368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H17NO/c1-13-3-6-16(14(2)11-13)9-10-18(20)17-7-4-15(12-19)5-8-17/h3-8,11H,9-10H2,1-2H3