[4-(5-pentylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate CAS Name: 3-heptoxypropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate Traditional Name: 3-heptoxypropionic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

Isomeric SMILES

CCCCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

InChI

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