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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-heptoxy-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-heptoxy-pyridine-3-carboxylate CAS Name: 4-cyano-6-heptoxy-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-heptoxypyridine-3-carboxylate Traditional Name: 4-cyano-6-heptoxy-nicotinic acid (4-heptylcyclohexyl) ester Formula: C27H42N2O3 MolecularWeight: 442.63398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O3/c1-3-5-7-9-11-13-22-14-16-24(17-15-22)32-27(30)25-21-29-26(19-23(25)20-28)31-18-12-10-8-6-4-2/h19,21-22,24H,3-18H2,1-2H3