2-[3-(2,6-dimethylphenyl)propanoyl]benzenecarbonitrile

Systemtic Name: 2-[3-(2,6-dimethylphenyl)propanoyl]benzenecarbonitrile Openeye Name: 2-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile CAS Name: 2-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzonitrile IUPAC Name: 2-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile Traditional Name: 2-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile Formula: C18H17NO MolecularWeight: 263.33368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CCC(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)CCC(=O)C2=CC=CC=C2C#N

InChI

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