(4-heptylcyclohexyl) 4-cyano-5-hexyl-pyridine-2-carboxylate

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-5-hexyl-pyridine-2-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-5-hexyl-pyridine-2-carboxylate CAS Name: 4-cyano-5-hexyl-2-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-5-hexylpyridine-2-carboxylate Traditional Name: 4-cyano-5-hexyl-picolinic acid (4-heptylcyclohexyl) ester Formula: C26H40N2O2 MolecularWeight: 412.608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2=NC=C(C(=C2)C#N)CCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2=NC=C(C(=C2)C#N)CCCCCC

InChI

InChI=1S/C26H40N2O2/c1-3-5-7-9-10-12-21-14-16-24(17-15-21)30-26(29)25-18-23(19-27)22(20-28-25)13-11-8-6-4-2/h18,20-21,24H,3-17H2,1-2H3