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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-6-decyl-pyridine-3-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-6-decyl-pyridine-3-carboxylate CAS Name: 4-cyano-6-decyl-3-pyridinecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-6-decylpyridine-3-carboxylate Traditional Name: 4-cyano-6-decyl-nicotinic acid (4-heptylcyclohexyl) ester Formula: C30H48N2O2 MolecularWeight: 468.71432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=NC=C(C(=C1)C#N)C(=O)OC2CCC(CC2)CCCCCCC

InChI

InChI=1S/C30H48N2O2/c1-3-5-7-9-10-11-13-15-17-27-22-26(23-31)29(24-32-27)30(33)34-28-20-18-25(19-21-28)16-14-12-8-6-4-2/h22,24-25,28H,3-21H2,1-2H3