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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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