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

Systemtic Name: phenyl 4-butyl-4-(5-nonylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-butyl-4-(5-nonyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-butyl-4-(5-nonyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-butyl-4-(5-nonylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-butyl-4-(5-nonyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C31H45NO2 MolecularWeight: 463.6945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO2/c1-3-5-7-8-9-10-12-15-26-18-19-29(32-25-26)31(22-6-4-2)23-20-27(21-24-31)30(33)34-28-16-13-11-14-17-28/h11,13-14,16-19,25,27H,3-10,12,15,20-24H2,1-2H3