4-[[6-oxidanylidene-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-oxidanylidene-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid Openeye Name: 4-[[6-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid CAS Name: 4-[[6-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid IUPAC Name: 4-[[6-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid Traditional Name: 4-[[6-keto-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid Formula: C25H18N2O3 MolecularWeight: 394.42202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=NC3=CN(C(=O)C=C3C=C2)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=NC3=CN(C(=O)C=C3C=C2)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H18N2O3/c28-24-15-21-13-14-22(8-4-7-18-5-2-1-3-6-18)26-23(21)17-27(24)16-19-9-11-20(12-10-19)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30)