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

Systemtic Name: 2-[4-[3-oxidanylidene-2-(2-phenylmethoxyethanoyl)heptyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[2-(2-benzyloxyacetyl)-3-oxo-heptyl]phenyl]benzonitrile CAS Name: 2-[4-[3-oxo-2-(1-oxo-2-phenylmethoxyethyl)heptyl]phenyl]benzonitrile IUPAC Name: 2-[4-[3-oxo-2-(2-phenylmethoxyacetyl)heptyl]phenyl]benzonitrile Traditional Name: 2-[4-[2-(2-benzoxyacetyl)-3-keto-heptyl]phenyl]benzonitrile Formula: C29H29NO3 MolecularWeight: 439.54546

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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)COCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C29H29NO3/c1-2-3-13-28(31)27(29(32)21-33-20-23-9-5-4-6-10-23)18-22-14-16-24(17-15-22)26-12-8-7-11-25(26)19-30/h4-12,14-17,27H,2-3,13,18,20-21H2,1H3