ethyl 3-[5-(phenylmethyl)-6-(trifluoromethylsulfonyloxy)pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[5-(phenylmethyl)-6-(trifluoromethylsulfonyloxy)pyridin-3-yl]propanoate Openeye Name: ethyl 3-[5-benzyl-6-(trifluoromethylsulfonyloxy)-3-pyridyl]propanoate CAS Name: 3-[5-(phenylmethyl)-6-(trifluoromethylsulfonyloxy)-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-benzyl-6-(trifluoromethylsulfonyloxy)pyridin-3-yl]propanoate Traditional Name: 3-(5-benzyl-6-triflyloxy-3-pyridyl)propionic acid ethyl ester Formula: C18H18F3NO5S MolecularWeight: 417.39943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(N=C1)OS(=O)(=O)C(F)(F)F)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(N=C1)OS(=O)(=O)C(F)(F)F)CC2=CC=CC=C2

InChI

InChI=1S/C18H18F3NO5S/c1-2-26-16(23)9-8-14-11-15(10-13-6-4-3-5-7-13)17(22-12-14)27-28(24,25)18(19,20)21/h3-7,11-12H,2,8-10H2,1H3