(4-methoxycarbonylphenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)isonipecotic acid (4-carbomethoxybenzyl) ester Formula: C22H21F2NO5 MolecularWeight: 417.402646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C22H21F2NO5/c1-29-21(27)15-4-2-14(3-5-15)13-30-22(28)16-8-10-25(11-9-16)20(26)18-7-6-17(23)12-19(18)24/h2-7,12,16H,8-11,13H2,1H3