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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-heptyl-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-heptyl-pyridine-3-carboxylate CAS Name: 4-cyano-6-heptyl-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-heptylpyridine-3-carboxylate Traditional Name: 4-cyano-6-heptyl-nicotinic acid (4-heptylcyclohexyl) ester Formula: C27H42N2O2 MolecularWeight: 426.63458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O2/c1-3-5-7-9-11-13-22-15-17-25(18-16-22)31-27(30)26-21-29-24(19-23(26)20-28)14-12-10-8-6-4-2/h19,21-22,25H,3-18H2,1-2H3