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

Systemtic Name: 1-heptyl-4-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Openeye Name: 1-heptyl-4-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile CAS Name: 1-heptyl-4-(4-phenyl-1-propyl-1-cyclohexa-2,5-dienyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-heptyl-4-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)cyclohexane-1-carbonitrile Traditional Name: 1-heptyl-4-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile Formula: C29H41N MolecularWeight: 403.64254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)CCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)CCC)C#N

InChI

InChI=1S/C29H41N/c1-3-5-6-7-11-19-28(24-30)20-16-27(17-21-28)29(18-4-2)22-14-26(15-23-29)25-12-9-8-10-13-25/h8-10,12-15,22-23,26-27H,3-7,11,16-21H2,1-2H3