4-[[7-fluoranyl-6-[2-(4-methylphenyl)ethanoylamino]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[7-fluoranyl-6-[2-(4-methylphenyl)ethanoylamino]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[7-fluoro-4-oxo-6-[[2-(p-tolyl)acetyl]amino]quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[7-fluoro-6-[[2-(4-methylphenyl)-1-oxoethyl]amino]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[7-fluoro-6-[[2-(4-methylphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[7-fluoro-4-keto-6-[[2-(p-tolyl)acetyl]amino]quinazolin-3-yl]methyl]benzoic acid Formula: C25H20FN3O4 MolecularWeight: 445.442403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)NC2=C(C=C3C(=C2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)NC2=C(C=C3C(=C2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O)F

InChI

InChI=1S/C25H20FN3O4/c1-15-2-4-16(5-3-15)10-23(30)28-22-11-19-21(12-20(22)26)27-14-29(24(19)31)13-17-6-8-18(9-7-17)25(32)33/h2-9,11-12,14H,10,13H2,1H3,(H,28,30)(H,32,33)