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

Systemtic Name: phenyl 4-(5-heptylpyridin-2-yl)-4-octyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-heptyl-2-pyridyl)-4-octyl-cyclohexanecarboxylate CAS Name: 4-(5-heptyl-2-pyridinyl)-4-octyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-heptylpyridin-2-yl)-4-octylcyclohexane-1-carboxylate Traditional Name: 4-(5-heptyl-2-pyridyl)-4-octyl-cyclohexanecarboxylic acid phenyl ester Formula: C33H49NO2 MolecularWeight: 491.74766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H49NO2/c1-3-5-7-9-11-16-24-33(31-21-20-28(27-34-31)17-13-10-8-6-4-2)25-22-29(23-26-33)32(35)36-30-18-14-12-15-19-30/h12,14-15,18-21,27,29H,3-11,13,16-17,22-26H2,1-2H3