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

Systemtic Name: (2S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylate Formula: C16H15F3N3O4- MolecularWeight: 370.30321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCCC3C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCC[C@H]3C(=O)[O-])OC

InChI

InChI=1S/C16H16F3N3O4/c1-25-11-6-8-9(7-12(11)26-2)20-15(16(17,18)19)21-13(8)22-5-3-4-10(22)14(23)24/h6-7,10H,3-5H2,1-2H3,(H,23,24)/p-1/t10-/m0/s1