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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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