4-[4-(4-hexoxyphenyl)phenyl]-1-(3-oxidanylidenecyclohexyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-hexoxyphenyl)phenyl]-1-(3-oxidanylidenecyclohexyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-hexoxyphenyl)phenyl]-1-(3-oxocyclohexyl)cyclohexanecarbonitrile CAS Name: 4-[4-(4-hexoxyphenyl)phenyl]-1-(3-oxocyclohexyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-hexoxyphenyl)phenyl]-1-(3-oxocyclohexyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-hexoxyphenyl)phenyl]-1-(3-ketocyclohexyl)cyclohexanecarbonitrile Formula: C31H39NO2 MolecularWeight: 457.64686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCCC(=O)C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCCC(=O)C4

InChI

InChI=1S/C31H39NO2/c1-2-3-4-5-21-34-30-15-13-26(14-16-30)24-9-11-25(12-10-24)27-17-19-31(23-32,20-18-27)28-7-6-8-29(33)22-28/h9-16,27-28H,2-8,17-22H2,1H3