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

Systemtic Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-heptyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-heptyl-cyclohexanecarbonitrile CAS Name: 4-(1-butoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-1-heptyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-butoxy-4-phenylcyclohexa-2,5-dien-1-yl)-1-heptylcyclohexane-1-carbonitrile Traditional Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-heptyl-cyclohexanecarbonitrile Formula: C30H43NO MolecularWeight: 433.66852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO/c1-3-5-7-8-12-19-29(25-31)20-17-28(18-21-29)30(32-24-6-4-2)22-15-27(16-23-30)26-13-10-9-11-14-26/h9-11,13-16,22-23,27-28H,3-8,12,17-21,24H2,1-2H3