(E)-3-(2-butyl-6-propyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(2-butyl-6-propyl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(2-butyl-6-propyl-phenyl)prop-2-enenitrile CAS Name: (E)-3-(2-butyl-6-propylphenyl)-2-propenenitrile IUPAC Name: (E)-3-(2-butyl-6-propylphenyl)prop-2-enenitrile Traditional Name: (E)-3-(2-butyl-6-propyl-phenyl)acrylonitrile Formula: C16H21N MolecularWeight: 227.34464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C=CC#N)CCC

Isomeric SMILES

CCCCC1=CC=CC(=C1/C=C/C#N)CCC

InChI

InChI=1S/C16H21N/c1-3-5-9-15-11-6-10-14(8-4-2)16(15)12-7-13-17/h6-7,10-12H,3-5,8-9H2,1-2H3/b12-7+