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

Systemtic Name: (4-heptylcyclohexyl) 6-butyl-4-cyano-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 6-butyl-4-cyano-pyridine-3-carboxylate CAS Name: 6-butyl-4-cyano-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 6-butyl-4-cyanopyridine-3-carboxylate Traditional Name: 6-butyl-4-cyano-nicotinic acid (4-heptylcyclohexyl) ester Formula: C24H36N2O2 MolecularWeight: 384.55484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O2/c1-3-5-7-8-9-10-19-12-14-22(15-13-19)28-24(27)23-18-26-21(11-6-4-2)16-20(23)17-25/h16,18-19,22H,3-15H2,1-2H3