4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(1-imidazolyl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCN2C=CN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/CN2C=CN=C2)C(=O)O

InChI

InChI=1S/C13H12N2O2/c16-13(17)12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h1-7,9-10H,8H2,(H,16,17)/b2-1+