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

Systemtic Name: 2-[4-[2-(2-methoxyethanoyl)-3-oxidanylidene-heptyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[2-(2-methoxyacetyl)-3-oxo-heptyl]phenyl]benzonitrile CAS Name: 2-[4-[2-(2-methoxy-1-oxoethyl)-3-oxoheptyl]phenyl]benzonitrile IUPAC Name: 2-[4-[2-(2-methoxyacetyl)-3-oxoheptyl]phenyl]benzonitrile Traditional Name: 2-[4-[3-keto-2-(2-methoxyacetyl)heptyl]phenyl]benzonitrile Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-3-4-9-22(25)21(23(26)16-27-2)14-17-10-12-18(13-11-17)20-8-6-5-7-19(20)15-24/h5-8,10-13,21H,3-4,9,14,16H2,1-2H3