3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid Openeye Name: 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid CAS Name: 3-[[5-(4-ethynylphenyl)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid Traditional Name: 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid Formula: C19H14N2O2 MolecularWeight: 302.32666

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=CN=CN2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=CN=CN2CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H14N2O2/c1-2-14-6-8-16(9-7-14)18-11-20-13-21(18)12-15-4-3-5-17(10-15)19(22)23/h1,3-11,13H,12H2,(H,22,23)