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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] pentanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] pentanoate CAS Name: pentanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] pentanoate Traditional Name: valeric acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-3-5-7-8-9-10-11-19-17-24-23(25-18-19)20-13-15-21(16-14-20)27-22(26)12-6-4-2/h13-18H,3-12H2,1-2H3