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

Systemtic Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]nipecotic acid Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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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)/t9-/m0/s1