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

Systemtic Name: phenyl 4-(5-hexylpyridin-2-yl)-4-octyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-hexyl-2-pyridyl)-4-octyl-cyclohexanecarboxylate CAS Name: 4-(5-hexyl-2-pyridinyl)-4-octyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-hexylpyridin-2-yl)-4-octylcyclohexane-1-carboxylate Traditional Name: 4-(5-hexyl-2-pyridyl)-4-octyl-cyclohexanecarboxylic acid phenyl ester Formula: C32H47NO2 MolecularWeight: 477.72108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCCCC

InChI

InChI=1S/C32H47NO2/c1-3-5-7-9-10-15-23-32(30-20-19-27(26-33-30)16-12-8-6-4-2)24-21-28(22-25-32)31(34)35-29-17-13-11-14-18-29/h11,13-14,17-20,26,28H,3-10,12,15-16,21-25H2,1-2H3