2-but-3-en-2-yl-2-phenyl-hexanenitrile

Systemtic Name: 2-but-3-en-2-yl-2-phenyl-hexanenitrile Openeye Name: 2-(1-methylallyl)-2-phenyl-hexanenitrile CAS Name: 2-but-3-en-2-yl-2-phenylhexanenitrile IUPAC Name: 2-but-3-en-2-yl-2-phenylhexanenitrile Traditional Name: 2-butyl-3-methyl-2-phenyl-pent-4-enenitrile Formula: C16H21N MolecularWeight: 227.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N/c1-4-6-12-16(13-17,14(3)5-2)15-10-8-7-9-11-15/h5,7-11,14H,2,4,6,12H2,1,3H3