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

Systemtic Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]nipecotate Formula: C16H15F3N3O3- MolecularWeight: 354.30381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N3CCCC(C3)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C16H16F3N3O3/c1-25-10-4-5-11-12(7-10)20-15(16(17,18)19)21-13(11)22-6-2-3-9(8-22)14(23)24/h4-5,7,9H,2-3,6,8H2,1H3,(H,23,24)/p-1/t9-/m0/s1