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

Systemtic Name: 4-[[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2,4-diketo-1-methyl-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCC3=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#CCC3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)