1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]isonipecotic acid Formula: C16H16F3N3O2 MolecularWeight: 339.31235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O2/c1-9-2-3-12-11(8-9)13(21-15(20-12)16(17,18)19)22-6-4-10(5-7-22)14(23)24/h2-3,8,10H,4-7H2,1H3,(H,23,24)