(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H21BrFNO5 MolecularWeight: 478.308243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C=C2Br)OCCO3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C=C2Br)OCCO3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21BrFNO5/c23-18-12-20-19(28-9-10-29-20)11-16(18)13-30-22(27)15-5-7-25(8-6-15)21(26)14-1-3-17(24)4-2-14/h1-4,11-12,15H,5-10,13H2