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

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

InChI

InChI=1S/C22H30N2O2/c1-3-5-7-9-10-18-12-14-19(15-13-18)22-23-16-20(17-24-22)26-21(25)11-8-6-4-2/h12-17H,3-11H2,1-2H3