[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C23H22ClFN2O5 MolecularWeight: 460.882583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C23H22ClFN2O5/c1-14(28)26-18-6-7-19(20(25)12-18)21(29)13-32-23(31)16-8-10-27(11-9-16)22(30)15-2-4-17(24)5-3-15/h2-7,12,16H,8-11,13H2,1H3,(H,26,28)