[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22ClFN2O4 MolecularWeight: 432.872483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN2O4/c1-14(20(27)25-19-8-4-17(23)5-9-19)30-22(29)16-10-12-26(13-11-16)21(28)15-2-6-18(24)7-3-15/h2-9,14,16H,10-13H2,1H3,(H,25,27)