(2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propionic acid Formula: C18H13BrF3N3O2 MolecularWeight: 440.21393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrF3N3O2/c19-11-6-7-13-12(9-11)15(25-17(24-13)18(20,21)22)23-14(16(26)27)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,26,27)(H,23,24,25)/t14-/m0/s1