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

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] octanoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2/c1-3-5-7-9-11-13-21-15-17-22(18-16-21)25-26-19-23(20-27-25)29-24(28)14-12-10-8-6-4-2/h15-20H,3-14H2,1-2H3