1-(2-methylbutyl)-4-(4-octoxyphenyl)cyclohexane-1-carbonitrile

Systemtic Name: 1-(2-methylbutyl)-4-(4-octoxyphenyl)cyclohexane-1-carbonitrile Openeye Name: 1-(2-methylbutyl)-4-(4-octoxyphenyl)cyclohexanecarbonitrile CAS Name: 1-(2-methylbutyl)-4-(4-octoxyphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-methylbutyl)-4-(4-octoxyphenyl)cyclohexane-1-carbonitrile Traditional Name: 1-(2-methylbutyl)-4-(4-octoxyphenyl)cyclohexanecarbonitrile Formula: C26H41NO MolecularWeight: 383.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2CCC(CC2)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2CCC(CC2)(CC(C)CC)C#N

InChI

InChI=1S/C26H41NO/c1-4-6-7-8-9-10-19-28-25-13-11-23(12-14-25)24-15-17-26(21-27,18-16-24)20-22(3)5-2/h11-14,22,24H,4-10,15-20H2,1-3H3