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

Systemtic Name: 4-[4-(4-butoxyphenyl)phenyl]-1-(3-oxidanylidene-4-propyl-cyclohexyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-butoxyphenyl)phenyl]-1-(3-oxo-4-propyl-cyclohexyl)cyclohexanecarbonitrile CAS Name: 4-[4-(4-butoxyphenyl)phenyl]-1-(3-oxo-4-propylcyclohexyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-butoxyphenyl)phenyl]-1-(3-oxo-4-propylcyclohexyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-butoxyphenyl)phenyl]-1-(3-keto-4-propyl-cyclohexyl)cyclohexanecarbonitrile Formula: C32H41NO2 MolecularWeight: 471.67344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

InChI

InChI=1S/C32H41NO2/c1-3-5-21-35-30-15-12-26(13-16-30)24-7-9-25(10-8-24)27-17-19-32(23-33,20-18-27)29-14-11-28(6-4-2)31(34)22-29/h7-10,12-13,15-16,27-29H,3-6,11,14,17-22H2,1-2H3