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

Systemtic Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-(1-butoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-butoxy-4-phenylcyclohexa-2,5-dien-1-yl)-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)cyclohexanecarbonitrile Formula: C28H39NO MolecularWeight: 405.61536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCC)C#N

InChI

InChI=1S/C28H39NO/c1-3-5-10-17-27(23-29)18-15-26(16-19-27)28(30-22-6-4-2)20-13-25(14-21-28)24-11-8-7-9-12-24/h7-9,11-14,20-21,25-26H,3-6,10,15-19,22H2,1-2H3