(4-pentylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-amylcyclohexyl) ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCCCC

InChI

InChI=1S/C29H42N2O2/c1-3-5-7-8-10-12-24-21-30-28(31-22-24)25-15-17-26(18-16-25)29(32)33-27-19-13-23(14-20-27)11-9-6-4-2/h15-18,21-23,27H,3-14,19-20H2,1-2H3