1-[2-[4-(4-octoxyphenyl)cyclohexyl]ethyl]-4-octyl-cyclohexane-1-carbonitrile

Systemtic Name: 1-[2-[4-(4-octoxyphenyl)cyclohexyl]ethyl]-4-octyl-cyclohexane-1-carbonitrile Openeye Name: 1-[2-[4-(4-octoxyphenyl)cyclohexyl]ethyl]-4-octyl-cyclohexanecarbonitrile CAS Name: 1-[2-[4-(4-octoxyphenyl)cyclohexyl]ethyl]-4-octyl-1-cyclohexanecarbonitrile IUPAC Name: 1-[2-[4-(4-octoxyphenyl)cyclohexyl]ethyl]-4-octylcyclohexane-1-carbonitrile Traditional Name: 1-[2-[4-(4-octoxyphenyl)cyclohexyl]ethyl]-4-octyl-cyclohexanecarbonitrile Formula: C37H61NO MolecularWeight: 535.88634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)(CCC2CCC(CC2)C3=CC=C(C=C3)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)(CCC2CCC(CC2)C3=CC=C(C=C3)OCCCCCCCC)C#N

InChI

InChI=1S/C37H61NO/c1-3-5-7-9-11-13-15-32-24-27-37(31-38,28-25-32)29-26-33-16-18-34(19-17-33)35-20-22-36(23-21-35)39-30-14-12-10-8-6-4-2/h20-23,32-34H,3-19,24-30H2,1-2H3