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

Systemtic Name: 4-[[1-oxidanylidene-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoic acid Openeye Name: 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoic acid CAS Name: 4-[[1-oxo-7-(3-phenylprop-1-ynyl)-2-phthalazinyl]methyl]benzoic acid IUPAC Name: 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoic acid Traditional Name: 4-[[1-keto-7-(3-phenylprop-1-ynyl)phthalazin-2-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=CC3=C(C=C2)C=NN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

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