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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-pentoxy-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-pentoxy-pyridine-3-carboxylate CAS Name: 4-cyano-6-pentoxy-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-pentoxypyridine-3-carboxylate Traditional Name: 6-amoxy-4-cyano-nicotinic acid (4-heptylcyclohexyl) ester Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O3/c1-3-5-7-8-9-11-20-12-14-22(15-13-20)30-25(28)23-19-27-24(17-21(23)18-26)29-16-10-6-4-2/h17,19-20,22H,3-16H2,1-2H3