4-[[1-methyl-2,4-bis(oxidanylidene)-6-(2-phenylethynyl)quinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[1-methyl-2,4-bis(oxidanylidene)-6-(2-phenylethynyl)quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-2,4-dioxo-6-(2-phenylethynyl)quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[1-methyl-2,4-dioxo-6-(2-phenylethynyl)-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-2,4-dioxo-6-(2-phenylethynyl)quinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2,4-diketo-1-methyl-6-(2-phenylethynyl)quinazolin-3-yl]methyl]benzoic acid Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H18N2O4/c1-26-22-14-11-18(8-7-17-5-3-2-4-6-17)15-21(22)23(28)27(25(26)31)16-19-9-12-20(13-10-19)24(29)30/h2-6,9-15H,16H2,1H3,(H,29,30)