4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(trifluoromethyl)-4-quinazolinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Formula: C17H12F3N3O2 MolecularWeight: 347.29129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H12F3N3O2/c18-17(19,20)16-22-13-4-2-1-3-12(13)14(23-16)21-9-10-5-7-11(8-6-10)15(24)25/h1-8H,9H2,(H,24,25)(H,21,22,23)