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

Systemtic Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile CAS Name: 4-(1-butoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-1-octyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-butoxy-4-phenylcyclohexa-2,5-dien-1-yl)-1-octylcyclohexane-1-carbonitrile Traditional Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-octyl-cyclohexanecarbonitrile Formula: C31H45NO MolecularWeight: 447.6951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO/c1-3-5-7-8-9-13-20-30(26-32)21-18-29(19-22-30)31(33-25-6-4-2)23-16-28(17-24-31)27-14-11-10-12-15-27/h10-12,14-17,23-24,28-29H,3-9,13,18-22,25H2,1-2H3