1-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[2-(trifluoromethyl)phenyl]-4-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]isonipecotic acid Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=NC3=C2C=C(C=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=NC3=C2C=C(C=C3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2/c22-21(23,24)17-4-2-1-3-15(17)14-5-6-18-16(11-14)19(26-12-25-18)27-9-7-13(8-10-27)20(28)29/h1-6,11-13H,7-10H2,(H,28,29)