(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-methylpyrrole-2-carboxylate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-methylpyrrole-2-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18FNO4 MolecularWeight: 367.370323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H18FNO4/c1-23-9-5-8-18(23)20(24)25-12-15-10-17(22)11-16-13-26-21(27-19(15)16)14-6-3-2-4-7-14/h2-11,21H,12-13H2,1H3