2-[4-(2-butanoyl-3-oxidanylidene-hexyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-(2-butanoyl-3-oxidanylidene-hexyl)phenyl]benzenecarbonitrile Openeye Name: 2-[4-(2-butanoyl-3-oxo-hexyl)phenyl]benzonitrile CAS Name: 2-[4-[3-oxo-2-(1-oxobutyl)hexyl]phenyl]benzonitrile IUPAC Name: 2-[4-(2-butanoyl-3-oxohexyl)phenyl]benzonitrile Traditional Name: 2-[4-(2-butyryl-3-keto-hexyl)phenyl]benzonitrile Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2/c1-3-7-22(25)21(23(26)8-4-2)15-17-11-13-18(14-12-17)20-10-6-5-9-19(20)16-24/h5-6,9-14,21H,3-4,7-8,15H2,1-2H3