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

Systemtic Name: phenyl 4-(5-hexylpyridin-2-yl)-4-pentyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-hexyl-2-pyridyl)-4-pentyl-cyclohexanecarboxylate CAS Name: 4-(5-hexyl-2-pyridinyl)-4-pentyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-hexylpyridin-2-yl)-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-(5-hexyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C29H41NO2 MolecularWeight: 435.64134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCC

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCC

InChI

InChI=1S/C29H41NO2/c1-3-5-7-9-13-24-16-17-27(30-23-24)29(20-12-6-4-2)21-18-25(19-22-29)28(31)32-26-14-10-8-11-15-26/h8,10-11,14-17,23,25H,3-7,9,12-13,18-22H2,1-2H3