(3S)-1-[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]nipecotic acid Formula: C15H13BrF3N3O2 MolecularWeight: 404.18183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H13BrF3N3O2/c16-9-3-4-11-10(6-9)12(21-14(20-11)15(17,18)19)22-5-1-2-8(7-22)13(23)24/h3-4,6,8H,1-2,5,7H2,(H,23,24)/t8-/m0/s1