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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H21FN2O6 MolecularWeight: 428.410343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O6/c23-16-3-1-14(2-4-16)21(27)25-9-7-15(8-10-25)22(28)29-12-20(26)24-17-5-6-18-19(11-17)31-13-30-18/h1-6,11,15H,7-10,12-13H2,(H,24,26)