4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)-3-pyrido[3,4-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(3-phenylprop-1-ynyl)pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C24H17N3O3 MolecularWeight: 395.41008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=C(C=N2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=C(C=N2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H17N3O3/c28-23-21-13-20(8-4-7-17-5-2-1-3-6-17)25-14-22(21)26-16-27(23)15-18-9-11-19(12-10-18)24(29)30/h1-3,5-6,9-14,16H,7,15H2,(H,29,30)