[2-(4-hexylphenyl)pyrimidin-5-yl] octanoate

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] octanoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCC

InChI

InChI=1S/C24H34N2O2/c1-3-5-7-9-11-13-23(27)28-22-18-25-24(26-19-22)21-16-14-20(15-17-21)12-10-8-6-4-2/h14-19H,3-13H2,1-2H3