[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H20FNO6 MolecularWeight: 413.395703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FNO6/c23-17-4-1-14(2-5-17)21(26)24-9-7-15(8-10-24)22(27)28-12-18(25)16-3-6-19-20(11-16)30-13-29-19/h1-6,11,15H,7-10,12-13H2