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

Systemtic Name: (4-methylphenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: p-tolylmethyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)isonipecotic acid (4-methylbenzyl) ester Formula: C21H21F2NO3 MolecularWeight: 373.393146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H21F2NO3/c1-14-2-4-15(5-3-14)13-27-21(26)16-8-10-24(11-9-16)20(25)18-7-6-17(22)12-19(18)23/h2-7,12,16H,8-11,13H2,1H3