4-[3-(2,6-dimethylphenyl)propanoyl]benzenecarbonitrile

Systemtic Name: 4-[3-(2,6-dimethylphenyl)propanoyl]benzenecarbonitrile Openeye Name: 4-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile CAS Name: 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzonitrile IUPAC Name: 4-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile Traditional Name: 4-[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=C(C=C2)C#N

Isomeric SMILES

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

InChI

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