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

Systemtic Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 2-heptoxypropanoate Openeye Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid [4-(5-hexoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 2-heptoxypropanoate Traditional Name: 2-heptoxypropionic acid [4-(5-hexoxypyrimidin-2-yl)phenyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O4/c1-4-6-8-10-12-17-30-21(3)26(29)32-23-15-13-22(14-16-23)25-27-19-24(20-28-25)31-18-11-9-7-5-2/h13-16,19-21H,4-12,17-18H2,1-3H3