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

Systemtic Name: 4-[[1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-keto-1-methyl-6-(3-phenylprop-1-ynyl)-4H-quinazolin-3-yl]methyl]benzoic acid Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C#CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C#CCC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3/c1-27-24-15-12-20(9-5-8-19-6-3-2-4-7-19)16-23(24)18-28(26(27)31)17-21-10-13-22(14-11-21)25(29)30/h2-4,6-7,10-16H,8,17-18H2,1H3,(H,29,30)