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

Systemtic Name: 1-(3-oxidanylidene-4-propyl-cyclohexyl)-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(3-oxo-4-propyl-cyclohexyl)-4-[4-(4-pentoxyphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(3-oxo-4-propylcyclohexyl)-4-[4-(4-pentoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-oxo-4-propylcyclohexyl)-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-amoxyphenyl)phenyl]-1-(3-keto-4-propyl-cyclohexyl)cyclohexanecarbonitrile Formula: C33H43NO2 MolecularWeight: 485.70002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

InChI

InChI=1S/C33H43NO2/c1-3-5-6-22-36-31-16-13-27(14-17-31)25-8-10-26(11-9-25)28-18-20-33(24-34,21-19-28)30-15-12-29(7-4-2)32(35)23-30/h8-11,13-14,16-17,28-30H,3-7,12,15,18-23H2,1-2H3