5-[[1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-keto-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]-2-furoic acid Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC=C(O3)C(=O)O)C=C(C=C2)C#CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(O3)C(=O)O)C=C(C=C2)C#CCC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O4/c1-25-21-12-10-18(9-5-8-17-6-3-2-4-7-17)14-19(21)15-26(24(25)29)16-20-11-13-22(30-20)23(27)28/h2-4,6-7,10-14H,8,15-16H2,1H3,(H,27,28)