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

Systemtic Name: (4-heptylcyclohexyl) 6-butoxy-4-cyano-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 6-butoxy-4-cyano-pyridine-3-carboxylate CAS Name: 6-butoxy-4-cyano-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 6-butoxy-4-cyanopyridine-3-carboxylate Traditional Name: 6-butoxy-4-cyano-nicotinic acid (4-heptylcyclohexyl) ester Formula: C24H36N2O3 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2=CN=C(C=C2C#N)OCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2=CN=C(C=C2C#N)OCCCC

InChI

InChI=1S/C24H36N2O3/c1-3-5-7-8-9-10-19-11-13-21(14-12-19)29-24(27)22-18-26-23(16-20(22)17-25)28-15-6-4-2/h16,18-19,21H,3-15H2,1-2H3