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

Systemtic Name: 4-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-heptyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-heptyl-cyclohexanecarbonitrile CAS Name: 4-(1-ethyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-heptyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-ethyl-4-phenylcyclohexa-2,5-dien-1-yl)-1-heptylcyclohexane-1-carbonitrile Traditional Name: 4-(1-ethyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-heptyl-cyclohexanecarbonitrile Formula: C28H39N MolecularWeight: 389.61596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N/c1-3-5-6-7-11-18-27(23-29)19-16-26(17-20-27)28(4-2)21-14-25(15-22-28)24-12-9-8-10-13-24/h8-10,12-15,21-22,25-26H,3-7,11,16-20H2,1-2H3