4-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile CAS Name: 4-(1-ethyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-octyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-ethyl-4-phenylcyclohexa-2,5-dien-1-yl)-1-octylcyclohexane-1-carbonitrile Traditional Name: 4-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile Formula: C29H41N MolecularWeight: 403.64254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)CC)C#N

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)CC)C#N

InChI

InChI=1S/C29H41N/c1-3-5-6-7-8-12-19-28(24-30)20-17-27(18-21-28)29(4-2)22-15-26(16-23-29)25-13-10-9-11-14-25/h9-11,13-16,22-23,26-27H,3-8,12,17-21H2,1-2H3