4-ethyl-3-oxidanylidene-2-phenyl-octanenitrile

Systemtic Name: 4-ethyl-3-oxidanylidene-2-phenyl-octanenitrile Openeye Name: 4-ethyl-3-oxo-2-phenyl-octanenitrile CAS Name: 4-ethyl-3-oxo-2-phenyloctanenitrile IUPAC Name: 4-ethyl-3-oxo-2-phenyloctanenitrile Traditional Name: 4-ethyl-3-keto-2-phenyl-caprylonitrile Formula: C16H21NO MolecularWeight: 243.34404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C(C#N)C1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)C(=O)C(C#N)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO/c1-3-5-9-13(4-2)16(18)15(12-17)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9H2,1-2H3