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

Systemtic Name: phenyl 4-(5-heptylpyridin-2-yl)-4-pentyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-heptyl-2-pyridyl)-4-pentyl-cyclohexanecarboxylate CAS Name: 4-(5-heptyl-2-pyridinyl)-4-pentyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-heptylpyridin-2-yl)-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-(5-heptyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C30H43NO2 MolecularWeight: 449.66792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO2/c1-3-5-7-8-10-14-25-17-18-28(31-24-25)30(21-13-6-4-2)22-19-26(20-23-30)29(32)33-27-15-11-9-12-16-27/h9,11-12,15-18,24,26H,3-8,10,13-14,19-23H2,1-2H3