[4-(5-octylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate CAS Name: 3-pentoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate Traditional Name: 3-amoxypropionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-3-5-7-8-9-10-12-22-20-27-26(28-21-22)23-13-15-24(16-14-23)31-25(29)17-19-30-18-11-6-4-2/h13-16,20-21H,3-12,17-19H2,1-2H3