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

Systemtic Name: 4-[4-(4-butylphenyl)phenyl]-1-(3-oxidanylidenecyclohexyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-butylphenyl)phenyl]-1-(3-oxocyclohexyl)cyclohexanecarbonitrile CAS Name: 4-[4-(4-butylphenyl)phenyl]-1-(3-oxocyclohexyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-butylphenyl)phenyl]-1-(3-oxocyclohexyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-butylphenyl)phenyl]-1-(3-ketocyclohexyl)cyclohexanecarbonitrile Formula: C29H35NO MolecularWeight: 413.5943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCCC(=O)C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCCC(=O)C4

InChI

InChI=1S/C29H35NO/c1-2-3-5-22-8-10-23(11-9-22)24-12-14-25(15-13-24)26-16-18-29(21-30,19-17-26)27-6-4-7-28(31)20-27/h8-15,26-27H,2-7,16-20H2,1H3