[4-(5-octoxypyrimidin-2-yl)phenyl] 2-hexoxypropanoate

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2-hexoxypropanoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCCCCC

InChI

InChI=1S/C27H40N2O4/c1-4-6-8-10-11-13-19-32-25-20-28-26(29-21-25)23-14-16-24(17-15-23)33-27(30)22(3)31-18-12-9-7-5-2/h14-17,20-22H,4-13,18-19H2,1-3H3