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

Systemtic Name: 4-[[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid Formula: C18H14F3N3O2 MolecularWeight: 361.31787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O2/c1-10-2-7-14-13(8-10)15(24-17(23-14)18(19,20)21)22-9-11-3-5-12(6-4-11)16(25)26/h2-8H,9H2,1H3,(H,25,26)(H,22,23,24)