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

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic 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-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C28H27FN2O5 MolecularWeight: 490.522783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H27FN2O5/c29-23-15-21(25-22(16-23)18-35-27(36-25)20-7-3-1-4-8-20)17-34-26(32)19-11-13-31(14-12-19)28(33)30-24-9-5-2-6-10-24/h1-10,15-16,19,27H,11-14,17-18H2,(H,30,33)