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

Systemtic Name: phenyl 4-butyl-4-(5-octylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-butyl-4-(5-octyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-butyl-4-(5-octyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-butyl-4-(5-octylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-butyl-4-(5-octyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C30H43NO2 MolecularWeight: 449.66792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2(CCC(CC2)C(=O)OC3=CC=CC=C3)CCCC

InChI

InChI=1S/C30H43NO2/c1-3-5-7-8-9-11-14-25-17-18-28(31-24-25)30(21-6-4-2)22-19-26(20-23-30)29(32)33-27-15-12-10-13-16-27/h10,12-13,15-18,24,26H,3-9,11,14,19-23H2,1-2H3