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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

InChI

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