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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(C)C(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC

Isomeric SMILES

CCCCCCCOC(C)C(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC

InChI

InChI=1S/C26H38N2O3/c1-4-6-8-10-12-18-30-21(3)26(29)31-24-16-14-23(15-17-24)25-27-19-22(20-28-25)13-11-9-7-5-2/h14-17,19-21H,4-13,18H2,1-3H3