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

Systemtic Name: 2-[4-[2-(2-methoxyethanoyl)-3-oxidanylidene-hexyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[2-(2-methoxyacetyl)-3-oxo-hexyl]phenyl]benzonitrile CAS Name: 2-[4-[2-(2-methoxy-1-oxoethyl)-3-oxohexyl]phenyl]benzonitrile IUPAC Name: 2-[4-[2-(2-methoxyacetyl)-3-oxohexyl]phenyl]benzonitrile Traditional Name: 2-[4-[3-keto-2-(2-methoxyacetyl)hexyl]phenyl]benzonitrile Formula: C22H23NO3 MolecularWeight: 349.42292

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-3-6-21(24)20(22(25)15-26-2)13-16-9-11-17(12-10-16)19-8-5-4-7-18(19)14-23/h4-5,7-12,20H,3,6,13,15H2,1-2H3