(2S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Formula: C15H13F3N3O3- MolecularWeight: 340.27723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N3CCCC3C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C15H14F3N3O3/c1-24-8-4-5-9-10(7-8)19-14(15(16,17)18)20-12(9)21-6-2-3-11(21)13(22)23/h4-5,7,11H,2-3,6H2,1H3,(H,22,23)/p-1/t11-/m0/s1