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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-hexoxy-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-hexoxy-pyridine-3-carboxylate CAS Name: 4-cyano-6-hexoxy-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-hexoxypyridine-3-carboxylate Traditional Name: 4-cyano-6-hexoxy-nicotinic acid (4-heptylcyclohexyl) ester Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O3/c1-3-5-7-9-10-12-21-13-15-23(16-14-21)31-26(29)24-20-28-25(18-22(24)19-27)30-17-11-8-6-4-2/h18,20-21,23H,3-17H2,1-2H3