2-[4-(4-heptoxyphenyl)cyclohexyl]-3-(4-octylcyclohexyl)propanenitrile

Systemtic Name: 2-[4-(4-heptoxyphenyl)cyclohexyl]-3-(4-octylcyclohexyl)propanenitrile Openeye Name: 2-[4-(4-heptoxyphenyl)cyclohexyl]-3-(4-octylcyclohexyl)propanenitrile CAS Name: 2-[4-(4-heptoxyphenyl)cyclohexyl]-3-(4-octylcyclohexyl)propanenitrile IUPAC Name: 2-[4-(4-heptoxyphenyl)cyclohexyl]-3-(4-octylcyclohexyl)propanenitrile Traditional Name: 2-[4-(4-heptoxyphenyl)cyclohexyl]-3-(4-octylcyclohexyl)propionitrile Formula: C36H59NO MolecularWeight: 521.85976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)CC(C#N)C2CCC(CC2)C3=CC=C(C=C3)OCCCCCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)CC(C#N)C2CCC(CC2)C3=CC=C(C=C3)OCCCCCCC

InChI

InChI=1S/C36H59NO/c1-3-5-7-9-10-12-14-30-15-17-31(18-16-30)28-35(29-37)34-21-19-32(20-22-34)33-23-25-36(26-24-33)38-27-13-11-8-6-4-2/h23-26,30-32,34-35H,3-22,27-28H2,1-2H3