4-[[1,3-bis(oxidanylidene)-5-(3-phenylprop-1-ynyl)isoindol-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[1,3-bis(oxidanylidene)-5-(3-phenylprop-1-ynyl)isoindol-2-yl]methyl]benzoic acid Openeye Name: 4-[[1,3-dioxo-5-(3-phenylprop-1-ynyl)isoindolin-2-yl]methyl]benzoic acid CAS Name: 4-[[1,3-dioxo-5-(3-phenylprop-1-ynyl)-2-isoindolyl]methyl]benzoic acid IUPAC Name: 4-[[1,3-dioxo-5-(3-phenylprop-1-ynyl)isoindol-2-yl]methyl]benzoic acid Traditional Name: 4-[[1,3-diketo-5-(3-phenylprop-1-ynyl)isoindolin-2-yl]methyl]benzoic acid Formula: C25H17NO4 MolecularWeight: 395.40678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17NO4/c27-23-21-14-11-18(8-4-7-17-5-2-1-3-6-17)15-22(21)24(28)26(23)16-19-9-12-20(13-10-19)25(29)30/h1-3,5-6,9-15H,7,16H2,(H,29,30)