4-(4-heptoxyphenyl)-1-[2-(4-octylcyclohexyl)ethyl]cyclohexane-1-carbonitrile

Systemtic Name: 4-(4-heptoxyphenyl)-1-[2-(4-octylcyclohexyl)ethyl]cyclohexane-1-carbonitrile Openeye Name: 4-(4-heptoxyphenyl)-1-[2-(4-octylcyclohexyl)ethyl]cyclohexanecarbonitrile CAS Name: 4-(4-heptoxyphenyl)-1-[2-(4-octylcyclohexyl)ethyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-(4-heptoxyphenyl)-1-[2-(4-octylcyclohexyl)ethyl]cyclohexane-1-carbonitrile Traditional Name: 4-(4-heptoxyphenyl)-1-[2-(4-octylcyclohexyl)ethyl]cyclohexanecarbonitrile Formula: C36H59NO MolecularWeight: 521.85976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)CCC2(CCC(CC2)C3=CC=C(C=C3)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)CCC2(CCC(CC2)C3=CC=C(C=C3)OCCCCCCC)C#N

InChI

InChI=1S/C36H59NO/c1-3-5-7-9-10-12-14-31-15-17-32(18-16-31)23-26-36(30-37)27-24-34(25-28-36)33-19-21-35(22-20-33)38-29-13-11-8-6-4-2/h19-22,31-32,34H,3-18,23-29H2,1-2H3