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

Systemtic Name: ethanoic acid; 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid Openeye Name: acetic acid; 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid CAS Name: acetic acid; 3-[[5-(4-ethynylphenyl)-1-imidazolyl]methyl]benzoic acid IUPAC Name: acetic acid; 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid Traditional Name: acetic acid; 3-[[5-(4-ethynylphenyl)imidazol-1-yl]methyl]benzoic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O2.C2H4O2/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;1-2(3)4/h1,3-11,13H,12H2,(H,22,23);1H3,(H,3,4)