[3-(4-cyanophenoxy)-3-methyl-1-(5-phenylmethoxypyridin-2-yl)butan-2-yl] methanesulfonate

Systemtic Name: [3-(4-cyanophenoxy)-3-methyl-1-(5-phenylmethoxypyridin-2-yl)butan-2-yl] methanesulfonate Openeye Name: [1-[(5-benzyloxy-2-pyridyl)methyl]-2-(4-cyanophenoxy)-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-(4-cyanophenoxy)-3-methyl-1-(5-phenylmethoxy-2-pyridinyl)butan-2-yl] ester IUPAC Name: [3-(4-cyanophenoxy)-3-methyl-1-(5-phenylmethoxypyridin-2-yl)butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[(5-benzoxy-2-pyridyl)methyl]-2-(4-cyanophenoxy)-2-methyl-propyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC1=NC=C(C=C1)OCC2=CC=CC=C2)OS(=O)(=O)C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C(CC1=NC=C(C=C1)OCC2=CC=CC=C2)OS(=O)(=O)C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H26N2O5S/c1-25(2,31-22-12-9-19(16-26)10-13-22)24(32-33(3,28)29)15-21-11-14-23(17-27-21)30-18-20-7-5-4-6-8-20/h4-14,17,24H,15,18H2,1-3H3