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

Systemtic Name: 4-[[6-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(2-methoxy-4-pyridinyl)prop-1-ynyl]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(2-methoxypyridin-4-yl)prop-1-ynyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(2-methoxy-4-pyridyl)prop-1-ynyl]quinazolin-3-yl]methyl]benzoic acid Formula: C25H19N3O4 MolecularWeight: 425.43606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=NC=CC(=C1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19N3O4/c1-32-23-14-18(11-12-26-23)4-2-3-17-7-10-22-21(13-17)24(29)28(16-27-22)15-19-5-8-20(9-6-19)25(30)31/h5-14,16H,4,15H2,1H3,(H,30,31)