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

Systemtic Name: 4-[[6-[2-(4-fluorophenyl)ethanoylamino]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[[2-(4-fluorophenyl)acetyl]amino]-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[2-(4-fluorophenyl)-1-oxoethyl]amino]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[[2-(4-fluorophenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[[2-(4-fluorophenyl)acetyl]amino]-4-keto-quinazolin-3-yl]methyl]benzoic acid Formula: C24H18FN3O4 MolecularWeight: 431.415823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O)F

InChI

InChI=1S/C24H18FN3O4/c25-18-7-3-15(4-8-18)11-22(29)27-19-9-10-21-20(12-19)23(30)28(14-26-21)13-16-1-5-17(6-2-16)24(31)32/h1-10,12,14H,11,13H2,(H,27,29)(H,31,32)