(2S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-acetic acid Formula: C18H14F3N3O3 MolecularWeight: 377.31727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H14F3N3O3/c1-27-11-7-8-12-13(9-11)22-17(18(19,20)21)24-15(12)23-14(16(25)26)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,25,26)(H,22,23,24)/t14-/m0/s1