4-[4-(4-heptylphenyl)phenyl]-1-(3-oxidanylidene-4-propyl-cyclohexyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-heptylphenyl)phenyl]-1-(3-oxidanylidene-4-propyl-cyclohexyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-heptylphenyl)phenyl]-1-(3-oxo-4-propyl-cyclohexyl)cyclohexanecarbonitrile CAS Name: 4-[4-(4-heptylphenyl)phenyl]-1-(3-oxo-4-propylcyclohexyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-heptylphenyl)phenyl]-1-(3-oxo-4-propylcyclohexyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-heptylphenyl)phenyl]-1-(3-keto-4-propyl-cyclohexyl)cyclohexanecarbonitrile Formula: C35H47NO MolecularWeight: 497.75378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

InChI

InChI=1S/C35H47NO/c1-3-5-6-7-8-10-27-11-13-28(14-12-27)29-15-17-30(18-16-29)31-21-23-35(26-36,24-22-31)33-20-19-32(9-4-2)34(37)25-33/h11-18,31-33H,3-10,19-25H2,1-2H3