ethyl 1-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-bromo-3-(trifluoromethyl)anilino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]isonipecotic acid ethyl ester Formula: C17H20BrF3N2O3 MolecularWeight: 437.25151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CNC2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CNC2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C17H20BrF3N2O3/c1-2-26-16(25)11-5-7-23(8-6-11)15(24)10-22-12-3-4-14(18)13(9-12)17(19,20)21/h3-4,9,11,22H,2,5-8,10H2,1H3