(2R)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-acetic acid CAS Name: (2R)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-2-phenylacetic acid IUPAC Name: (2R)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenylacetic acid Traditional Name: (2R)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-acetic acid Formula: C17H11BrF3N3O2 MolecularWeight: 426.18735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)O)NC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C17H11BrF3N3O2/c18-10-6-7-12-11(8-10)14(24-16(22-12)17(19,20)21)23-13(15(25)26)9-4-2-1-3-5-9/h1-8,13H,(H,25,26)(H,22,23,24)/t13-/m1/s1