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

Systemtic Name: phenyl 4-(5-nonylpyridin-2-yl)-4-octyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-nonyl-2-pyridyl)-4-octyl-cyclohexanecarboxylate CAS Name: 4-(5-nonyl-2-pyridinyl)-4-octyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-nonylpyridin-2-yl)-4-octylcyclohexane-1-carboxylate Traditional Name: 4-(5-nonyl-2-pyridyl)-4-octyl-cyclohexanecarboxylic acid phenyl ester Formula: C35H53NO2 MolecularWeight: 519.80082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCCCCCC

InChI

InChI=1S/C35H53NO2/c1-3-5-7-9-11-12-15-19-30-22-23-33(36-29-30)35(26-18-13-10-8-6-4-2)27-24-31(25-28-35)34(37)38-32-20-16-14-17-21-32/h14,16-17,20-23,29,31H,3-13,15,18-19,24-28H2,1-2H3