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

Systemtic Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]-4-piperidinecarboxylate IUPAC Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]isonipecotate Formula: C17H17F3N3O4- MolecularWeight: 384.32979

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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)/p-1