[4-(5-hexylpyrimidin-2-yl)phenyl] 3-octoxypropanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-3-5-7-9-10-12-19-31-20-18-26(30)32-25-16-14-24(15-17-25)27-28-21-23(22-29-27)13-11-8-6-4-2/h14-17,21-22H,3-13,18-20H2,1-2H3