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

Systemtic Name: 4-[[6-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-2,4-dioxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(1-imidazolyl)prop-1-ynyl]-1-methyl-2,4-dioxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-2,4-dioxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(3-imidazol-1-ylprop-1-ynyl)-2,4-diketo-1-methyl-quinazolin-3-yl]methyl]benzoic acid Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCN3C=CN=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCN3C=CN=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H18N4O4/c1-25-20-9-6-16(3-2-11-26-12-10-24-15-26)13-19(20)21(28)27(23(25)31)14-17-4-7-18(8-5-17)22(29)30/h4-10,12-13,15H,11,14H2,1H3,(H,29,30)