[2-(4-heptylphenyl)pyrimidin-5-yl] hexanoate

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

InChI

InChI=1S/C23H32N2O2/c1-3-5-7-8-10-11-19-13-15-20(16-14-19)23-24-17-21(18-25-23)27-22(26)12-9-6-4-2/h13-18H,3-12H2,1-2H3