methyl 2-(2-fluoranyl-3-methanoyl-pyridin-4-yl)-2-phenylmethoxy-butanoate

Systemtic Name: methyl 2-(2-fluoranyl-3-methanoyl-pyridin-4-yl)-2-phenylmethoxy-butanoate Openeye Name: methyl 2-benzyloxy-2-(2-fluoro-3-formyl-4-pyridyl)butanoate CAS Name: 2-(2-fluoro-3-formyl-4-pyridinyl)-2-phenylmethoxybutanoic acid methyl ester IUPAC Name: methyl 2-(2-fluoro-3-formylpyridin-4-yl)-2-phenylmethoxybutanoate Traditional Name: 2-benzoxy-2-(2-fluoro-3-formyl-4-pyridyl)butyric acid methyl ester Formula: C18H18FNO4 MolecularWeight: 331.338223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=NC=C1)F)C=O)(C(=O)OC)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C1=C(C(=NC=C1)F)C=O)(C(=O)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18FNO4/c1-3-18(17(22)23-2,24-12-13-7-5-4-6-8-13)15-9-10-20-16(19)14(15)11-21/h4-11H,3,12H2,1-2H3