4-heptyl-1-[2-[4-(4-octoxyphenyl)phenyl]ethyl]cyclohexane-1-carbonitrile

Systemtic Name: 4-heptyl-1-[2-[4-(4-octoxyphenyl)phenyl]ethyl]cyclohexane-1-carbonitrile Openeye Name: 4-heptyl-1-[2-[4-(4-octoxyphenyl)phenyl]ethyl]cyclohexanecarbonitrile CAS Name: 4-heptyl-1-[2-[4-(4-octoxyphenyl)phenyl]ethyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-heptyl-1-[2-[4-(4-octoxyphenyl)phenyl]ethyl]cyclohexane-1-carbonitrile Traditional Name: 4-heptyl-1-[2-[4-(4-octoxyphenyl)phenyl]ethyl]cyclohexanecarbonitrile Formula: C36H53NO MolecularWeight: 515.81212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3(CCC(CC3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3(CCC(CC3)CCCCCCC)C#N

InChI

InChI=1S/C36H53NO/c1-3-5-7-9-11-13-29-38-35-21-19-34(20-22-35)33-17-15-32(16-18-33)25-28-36(30-37)26-23-31(24-27-36)14-12-10-8-6-4-2/h15-22,31H,3-14,23-29H2,1-2H3