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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-decoxy-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-decoxy-pyridine-3-carboxylate CAS Name: 4-cyano-6-decoxy-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-decoxypyridine-3-carboxylate Traditional Name: 4-cyano-6-decoxy-nicotinic acid (4-heptylcyclohexyl) ester Formula: C30H48N2O3 MolecularWeight: 484.71372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

InChI

InChI=1S/C30H48N2O3/c1-3-5-7-9-10-11-13-15-21-34-29-22-26(23-31)28(24-32-29)30(33)35-27-19-17-25(18-20-27)16-14-12-8-6-4-2/h22,24-25,27H,3-21H2,1-2H3