1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]isonipecotic acid Formula: C17H18F3N3O4 MolecularWeight: 385.33773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C17H18F3N3O4/c1-26-12-7-10-11(8-13(12)27-2)21-16(17(18,19)20)22-14(10)23-5-3-9(4-6-23)15(24)25/h7-9H,3-6H2,1-2H3,(H,24,25)