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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-nonyl-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-nonyl-pyridine-3-carboxylate CAS Name: 4-cyano-6-nonyl-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-nonylpyridine-3-carboxylate Traditional Name: 4-cyano-6-nonyl-nicotinic acid (4-heptylcyclohexyl) ester Formula: C29H46N2O2 MolecularWeight: 454.68774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

Isomeric SMILES

CCCCCCCCCC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

InChI

InChI=1S/C29H46N2O2/c1-3-5-7-9-10-12-14-16-26-21-25(22-30)28(23-31-26)29(32)33-27-19-17-24(18-20-27)15-13-11-8-6-4-2/h21,23-24,27H,3-20H2,1-2H3