[2-(5-octylpyrimidin-4-yl)phenyl] hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OC(=O)CCCCC

InChI

InChI=1S/C24H34N2O2/c1-3-5-7-8-9-11-14-20-18-25-19-26-24(20)21-15-12-13-16-22(21)28-23(27)17-10-6-4-2/h12-13,15-16,18-19H,3-11,14,17H2,1-2H3