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

Systemtic Name: phenyl 4-(5-ethylpyridin-2-yl)-4-octyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-ethyl-2-pyridyl)-4-octyl-cyclohexanecarboxylate CAS Name: 4-(5-ethyl-2-pyridinyl)-4-octyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-ethylpyridin-2-yl)-4-octylcyclohexane-1-carboxylate Traditional Name: 4-(5-ethyl-2-pyridyl)-4-octyl-cyclohexanecarboxylic acid phenyl ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO2/c1-3-5-6-7-8-12-19-28(26-16-15-23(4-2)22-29-26)20-17-24(18-21-28)27(30)31-25-13-10-9-11-14-25/h9-11,13-16,22,24H,3-8,12,17-21H2,1-2H3