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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC

InChI

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