(4-cyanocyclohexyl) 4-(4-heptylcyclohexyl)benzoate

Systemtic Name: (4-cyanocyclohexyl) 4-(4-heptylcyclohexyl)benzoate Openeye Name: (4-cyanocyclohexyl) 4-(4-heptylcyclohexyl)benzoate CAS Name: 4-(4-heptylcyclohexyl)benzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-(4-heptylcyclohexyl)benzoate Traditional Name: 4-(4-heptylcyclohexyl)benzoic acid (4-cyanocyclohexyl) ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)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/h14-17,21-23,26H,2-13,18-19H2,1H3