[4-(5-hexylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate CAS Name: 3-hexoxypropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate Traditional Name: 3-hexoxypropionic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCC

InChI

InChI=1S/C25H36N2O3/c1-3-5-7-9-11-21-19-26-25(27-20-21)22-12-14-23(15-13-22)30-24(28)16-18-29-17-10-8-6-4-2/h12-15,19-20H,3-11,16-18H2,1-2H3