4-[[4-oxidanylidene-6-(3-pyridin-3-ylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-(3-pyridin-3-ylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-[3-(3-pyridyl)prop-1-ynyl]quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[3-(3-pyridinyl)prop-1-ynyl]-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(3-pyridin-3-ylprop-1-ynyl)quinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(3-pyridyl)prop-1-ynyl]quinazolin-3-yl]methyl]benzoic acid Formula: C24H17N3O3 MolecularWeight: 395.41008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H17N3O3/c28-23-21-13-17(3-1-4-18-5-2-12-25-14-18)8-11-22(21)26-16-27(23)15-19-6-9-20(10-7-19)24(29)30/h2,5-14,16H,4,15H2,(H,29,30)