5-oxidanylidene-2-phenyl-2-propan-2-yl-octanenitrile

Systemtic Name: 5-oxidanylidene-2-phenyl-2-propan-2-yl-octanenitrile Openeye Name: 2-isopropyl-5-oxo-2-phenyl-octanenitrile CAS Name: 5-oxo-2-phenyl-2-propan-2-yloctanenitrile IUPAC Name: 5-oxo-2-phenyl-2-propan-2-yloctanenitrile Traditional Name: 2-isopropyl-5-keto-2-phenyl-caprylonitrile Formula: C17H23NO MolecularWeight: 257.37062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CCC(C#N)(C1=CC=CC=C1)C(C)C

Isomeric SMILES

CCCC(=O)CCC(C#N)(C1=CC=CC=C1)C(C)C

InChI

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