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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate CAS Name: 3-hexoxypropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate Traditional Name: 3-hexoxypropionic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3/c1-3-5-7-9-16-28-17-15-23(27)29-22-13-11-21(12-14-22)24-25-18-20(19-26-24)10-8-6-4-2/h11-14,18-19H,3-10,15-17H2,1-2H3