(4-heptylcyclohexyl) 4-cyano-6-octyl-pyridine-3-carboxylate

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-octyl-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-octyl-pyridine-3-carboxylate CAS Name: 4-cyano-6-octyl-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-octylpyridine-3-carboxylate Traditional Name: 4-cyano-6-octyl-nicotinic acid (4-heptylcyclohexyl) ester Formula: C28H44N2O2 MolecularWeight: 440.66116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

InChI

InChI=1S/C28H44N2O2/c1-3-5-7-9-11-13-15-25-20-24(21-29)27(22-30-25)28(31)32-26-18-16-23(17-19-26)14-12-10-8-6-4-2/h20,22-23,26H,3-19H2,1-2H3