3-[[8-oxidanylidene-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid

Systemtic Name: 3-[[8-oxidanylidene-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid Openeye Name: 3-[[8-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid CAS Name: 3-[[8-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid IUPAC Name: 3-[[8-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid Traditional Name: 3-[[8-keto-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid Formula: C25H18N2O3 MolecularWeight: 394.42202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=NC3=C(C=C2)C=CN(C3=O)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=NC3=C(C=C2)C=CN(C3=O)CC4=CC=CC(=C4)C(=O)O

InChI

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