(7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H19ClFNO5 MolecularWeight: 419.830663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19ClFNO5/c22-17-9-13(10-18-19(17)29-12-28-18)11-27-21(26)15-5-7-24(8-6-15)20(25)14-1-3-16(23)4-2-14/h1-4,9-10,15H,5-8,11-12H2