[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C21H19ClFNO4 MolecularWeight: 403.831263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H19ClFNO4/c22-17-8-6-14(7-9-17)20(26)24-10-2-4-16(12-24)21(27)28-13-19(25)15-3-1-5-18(23)11-15/h1,3,5-9,11,16H,2,4,10,12-13H2/t16-/m0/s1