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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=C(C=C3)C#CCC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C24H17N3O3/c28-23-21-14-18(3-1-2-17-10-12-25-13-11-17)6-9-22(21)26-16-27(23)15-19-4-7-20(8-5-19)24(29)30/h4-14,16H,2,15H2,(H,29,30)