4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Formula: C19H16F3N3O4 MolecularWeight: 407.34325

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C19H16F3N3O4/c1-28-14-7-12-13(8-15(14)29-2)24-18(19(20,21)22)25-16(12)23-9-10-3-5-11(6-4-10)17(26)27/h3-8H,9H2,1-2H3,(H,26,27)(H,23,24,25)