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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-hexoxypropanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-hexoxypropanoate Traditional Name: 2-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)C(C)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-4-6-8-10-12-21-18-26-24(27-19-21)22-13-15-23(16-14-22)30-25(28)20(3)29-17-11-9-7-5-2/h13-16,18-20H,4-12,17H2,1-3H3