3-(2-oxidanylidenepropyl)-2-phenyl-octanenitrile

Systemtic Name: 3-(2-oxidanylidenepropyl)-2-phenyl-octanenitrile Openeye Name: 3-acetonyl-2-phenyl-octanenitrile CAS Name: 3-(2-oxopropyl)-2-phenyloctanenitrile IUPAC Name: 3-(2-oxopropyl)-2-phenyloctanenitrile Traditional Name: 3-acetonyl-2-phenyl-caprylonitrile Formula: C17H23NO MolecularWeight: 257.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO/c1-3-4-6-11-16(12-14(2)19)17(13-18)15-9-7-5-8-10-15/h5,7-10,16-17H,3-4,6,11-12H2,1-2H3