4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-pentyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile Formula: C31H45N MolecularWeight: 431.6957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C31H45N/c1-3-5-7-8-13-21-31(24-16-28(17-25-31)27-14-10-9-11-15-27)29-18-22-30(26-32,23-19-29)20-12-6-4-2/h9-11,14-17,24-25,28-29H,3-8,12-13,18-23H2,1-2H3