(2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenyl-propionic acid Formula: C19H16F3N3O3 MolecularWeight: 391.34385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N[C@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H16F3N3O3/c1-28-12-7-8-13-14(10-12)24-18(19(20,21)22)25-16(13)23-15(17(26)27)9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3,(H,26,27)(H,23,24,25)/t15-/m1/s1