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

Systemtic Name: (4-cyanophenyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-cyanophenyl) 4-(4-heptylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-heptylcyclohexyl)-1-cyclohexanecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-heptylcyclohexyl)cyclohexanecarboxylic acid (4-cyanophenyl) ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-21-8-12-23(13-9-21)24-14-16-25(17-15-24)27(29)30-26-18-10-22(20-28)11-19-26/h10-11,18-19,21,23-25H,2-9,12-17H2,1H3