1-[4-(5-undecylpyrimidin-2-yl)phenoxy]pentan-3-yl methanesulfonate

Systemtic Name: 1-[4-(5-undecylpyrimidin-2-yl)phenoxy]pentan-3-yl methanesulfonate Openeye Name: [1-ethyl-3-[4-(5-undecylpyrimidin-2-yl)phenoxy]propyl] methanesulfonate CAS Name: methanesulfonic acid 1-[4-(5-undecyl-2-pyrimidinyl)phenoxy]pentan-3-yl ester IUPAC Name: 1-[4-(5-undecylpyrimidin-2-yl)phenoxy]pentan-3-yl methanesulfonate Traditional Name: methanesulfonic acid [1-ethyl-3-[4-(5-undecylpyrimidin-2-yl)phenoxy]propyl] ester Formula: C27H42N2O4S MolecularWeight: 490.69838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CC)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CC)OS(=O)(=O)C

InChI

InChI=1S/C27H42N2O4S/c1-4-6-7-8-9-10-11-12-13-14-23-21-28-27(29-22-23)24-15-17-26(18-16-24)32-20-19-25(5-2)33-34(3,30)31/h15-18,21-22,25H,4-14,19-20H2,1-3H3