[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C22H21F2NO4 MolecularWeight: 401.403246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C22H21F2NO4/c1-15(26)25-11-9-22(10-12-25,17-5-3-2-4-6-17)21(28)29-14-20(27)16-7-8-18(23)19(24)13-16/h2-8,13H,9-12,14H2,1H3