1-[2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[2-(trifluoromethyl)-4-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(trifluoromethyl)quinazolin-4-yl]isonipecotic acid Formula: C15H14F3N3O2 MolecularWeight: 325.28577

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O2/c16-15(17,18)14-19-11-4-2-1-3-10(11)12(20-14)21-7-5-9(6-8-21)13(22)23/h1-4,9H,5-8H2,(H,22,23)