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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate CAS Name: 3-hexoxypropanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate Traditional Name: 3-hexoxypropionic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCC

InChI

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