(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-phenethyl-3-pyrrolidinecarboxylic 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 5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C28H26FNO5 MolecularWeight: 475.508143

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C28H26FNO5/c29-24-13-22(26-23(14-24)18-34-28(35-26)20-9-5-2-6-10-20)17-33-27(32)21-15-25(31)30(16-21)12-11-19-7-3-1-4-8-19/h1-10,13-14,21,28H,11-12,15-18H2