4-[[6-(3-naphthalen-2-ylprop-1-ynyl)-3-oxidanylidene-1H-isoindol-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(3-naphthalen-2-ylprop-1-ynyl)-3-oxidanylidene-1H-isoindol-2-yl]methyl]benzoic acid Openeye Name: 4-[[5-[3-(2-naphthyl)prop-1-ynyl]-1-oxo-isoindolin-2-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(2-naphthalenyl)prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(3-naphthalen-2-ylprop-1-ynyl)-3-oxo-1H-isoindol-2-yl]methyl]benzoic acid Traditional Name: 4-[[1-keto-5-[3-(2-naphthyl)prop-1-ynyl]isoindolin-2-yl]methyl]benzoic acid Formula: C29H21NO3 MolecularWeight: 431.48194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#CCC3=CC4=CC=CC=C4C=C3)C(=O)N1CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)C#CCC3=CC4=CC=CC=C4C=C3)C(=O)N1CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H21NO3/c31-28-27-15-11-21(5-3-4-20-8-12-23-6-1-2-7-25(23)16-20)17-26(27)19-30(28)18-22-9-13-24(14-10-22)29(32)33/h1-2,6-17H,4,18-19H2,(H,32,33)