1-phenethyl-4-[[2-(trifluoromethyl)phenyl]amino]piperidine-4-carboxylic acid

Systemtic Name: 1-phenethyl-4-[[2-(trifluoromethyl)phenyl]amino]piperidine-4-carboxylic acid Openeye Name: 1-phenethyl-4-[2-(trifluoromethyl)anilino]piperidine-4-carboxylic acid CAS Name: 1-phenethyl-4-[2-(trifluoromethyl)anilino]-4-piperidinecarboxylic acid IUPAC Name: 1-phenethyl-4-[2-(trifluoromethyl)anilino]piperidine-4-carboxylic acid Traditional Name: 1-phenethyl-4-[2-(trifluoromethyl)anilino]isonipecotic acid Formula: C21H23F3N2O2 MolecularWeight: 392.41473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)NC2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(C(=O)O)NC2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23F3N2O2/c22-21(23,24)17-8-4-5-9-18(17)25-20(19(27)28)11-14-26(15-12-20)13-10-16-6-2-1-3-7-16/h1-9,25H,10-15H2,(H,27,28)