phenyl 4-(5-heptylpyridin-2-yl)-4-propyl-cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-(5-heptylpyridin-2-yl)-4-propyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-heptyl-2-pyridyl)-4-propyl-cyclohexanecarboxylate CAS Name: 4-(5-heptyl-2-pyridinyl)-4-propyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-heptylpyridin-2-yl)-4-propylcyclohexane-1-carboxylate Traditional Name: 4-(5-heptyl-2-pyridyl)-4-propyl-cyclohexanecarboxylic acid phenyl ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCC

InChI

InChI=1S/C28H39NO2/c1-3-5-6-7-9-12-23-15-16-26(29-22-23)28(19-4-2)20-17-24(18-21-28)27(30)31-25-13-10-8-11-14-25/h8,10-11,13-16,22,24H,3-7,9,12,17-21H2,1-2H3