(3S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]nipecotate 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)N3CCCC(C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCC[C@@H](C3)C(=O)[O-])OC

InChI

InChI=1S/C17H18F3N3O4/c1-26-12-6-10-11(7-13(12)27-2)21-16(17(18,19)20)22-14(10)23-5-3-4-9(8-23)15(24)25/h6-7,9H,3-5,8H2,1-2H3,(H,24,25)/p-1/t9-/m0/s1