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

Systemtic Name: 4-[[7-fluoranyl-6-[2-(4-hydroxyphenyl)ethanoylamino]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[7-fluoro-6-[[2-(4-hydroxyphenyl)acetyl]amino]-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[7-fluoro-6-[[2-(4-hydroxyphenyl)-1-oxoethyl]amino]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[7-fluoro-6-[[2-(4-hydroxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[7-fluoro-6-[[2-(4-hydroxyphenyl)acetyl]amino]-4-keto-quinazolin-3-yl]methyl]benzoic acid Formula: C24H18FN3O5 MolecularWeight: 447.415223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC2=C(C=C3C(=C2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O)F)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC2=C(C=C3C(=C2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O)F)O

InChI

InChI=1S/C24H18FN3O5/c25-19-11-20-18(10-21(19)27-22(30)9-14-3-7-17(29)8-4-14)23(31)28(13-26-20)12-15-1-5-16(6-2-15)24(32)33/h1-8,10-11,13,29H,9,12H2,(H,27,30)(H,32,33)