(4-cyanophenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (4-cyanophenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-cyanophenyl) 4-(4-octylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-octylcyclohexyl)-1-cyclohexanecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-octylcyclohexyl)cyclohexanecarboxylic acid (4-cyanophenyl) ester Formula: C28H41NO2 MolecularWeight: 423.63064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H41NO2/c1-2-3-4-5-6-7-8-22-9-13-24(14-10-22)25-15-17-26(18-16-25)28(30)31-27-19-11-23(21-29)12-20-27/h11-12,19-20,22,24-26H,2-10,13-18H2,1H3