[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-[4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]piperidine-4-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-[4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]piperidine-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 1-(4,4,4-trifluoro-3-oxo-but-1-enyl)piperidine-4-carboxylate CAS Name: 1-(4,4,4-trifluoro-3-oxobut-1-enyl)-4-piperidinecarboxylic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-(4,4,4-trifluoro-3-oxobut-1-enyl)piperidine-4-carboxylate Traditional Name: 1-(4,4,4-trifluoro-3-keto-but-1-enyl)isonipecotic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C19H20ClF3N2O4 MolecularWeight: 432.82131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)C=CC(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)C=CC(=O)C(F)(F)F

InChI

InChI=1S/C19H20ClF3N2O4/c20-15-3-1-13(2-4-15)11-24-17(27)12-29-18(28)14-5-8-25(9-6-14)10-7-16(26)19(21,22)23/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,24,27)