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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-pentyl-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-pentyl-pyridine-3-carboxylate CAS Name: 4-cyano-6-pentyl-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-pentylpyridine-3-carboxylate Traditional Name: 6-amyl-4-cyano-nicotinic acid (4-heptylcyclohexyl) ester Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O2/c1-3-5-7-8-10-11-20-13-15-23(16-14-20)29-25(28)24-19-27-22(12-9-6-4-2)17-21(24)18-26/h17,19-20,23H,3-16H2,1-2H3