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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-nonoxy-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-nonoxy-pyridine-3-carboxylate CAS Name: 4-cyano-6-nonoxy-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-nonoxypyridine-3-carboxylate Traditional Name: 4-cyano-6-nonoxy-nicotinic acid (4-heptylcyclohexyl) ester Formula: C29H46N2O3 MolecularWeight: 470.68714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

Isomeric SMILES

CCCCCCCCCOC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

InChI

InChI=1S/C29H46N2O3/c1-3-5-7-9-10-12-14-20-33-28-21-25(22-30)27(23-31-28)29(32)34-26-18-16-24(17-19-26)15-13-11-8-6-4-2/h21,23-24,26H,3-20H2,1-2H3