4-[[2-(3-phenylprop-1-ynyl)-1H-imidazo[4,5-b]pyridin-6-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-phenylprop-1-ynyl)-1H-imidazo[4,5-b]pyridin-6-yl]methyl]benzoic acid Openeye Name: 4-[[2-(3-phenylprop-1-ynyl)-1H-imidazo[4,5-b]pyridin-6-yl]methyl]benzoic acid CAS Name: 4-[[2-(3-phenylprop-1-ynyl)-1H-imidazo[4,5-b]pyridin-6-yl]methyl]benzoic acid IUPAC Name: 4-[[2-(3-phenylprop-1-ynyl)-1H-imidazo[4,5-b]pyridin-6-yl]methyl]benzoic acid Traditional Name: 4-[[2-(3-phenylprop-1-ynyl)-1H-imidazo[4,5-b]pyridin-6-yl]methyl]benzoic acid Formula: C23H17N3O2 MolecularWeight: 367.39998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=NC3=C(N2)C=C(C=N3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=NC3=C(N2)C=C(C=N3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17N3O2/c27-23(28)19-11-9-17(10-12-19)13-18-14-20-22(24-15-18)26-21(25-20)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,14-15H,7,13H2,(H,27,28)(H,24,25,26)