(2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]butanedioic acid

Systemtic Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]butanedioic acid Openeye Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]butanedioic acid CAS Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]butanedioic acid IUPAC Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]butanedioic acid Traditional Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]succinic acid Formula: C14H12F3N3O5 MolecularWeight: 359.25739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F3N3O5/c1-25-6-2-3-7-8(4-6)19-13(14(15,16)17)20-11(7)18-9(12(23)24)5-10(21)22/h2-4,9H,5H2,1H3,(H,21,22)(H,23,24)(H,18,19,20)/t9-/m1/s1