[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C21H18Cl2FNO4 MolecularWeight: 438.276323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18Cl2FNO4/c22-15-3-6-17(18(23)11-15)19(26)12-29-21(28)14-7-9-25(10-8-14)20(27)13-1-4-16(24)5-2-13/h1-6,11,14H,7-10,12H2