2-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid

Systemtic Name: 2-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Openeye Name: 2-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid CAS Name: 2-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-(1-imidazolyl)prop-1-enyl]benzoic acid IUPAC Name: 2-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Traditional Name: 2-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Formula: C21H19FN2O2 MolecularWeight: 350.386163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=C(C=C(C=C2)C=CCN3C=CN=C3)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CCC2=C(C=C(C=C2)/C=C/CN3C=CN=C3)C(=O)O)F

InChI

InChI=1S/C21H19FN2O2/c22-19-9-5-16(6-10-19)3-7-18-8-4-17(14-20(18)21(25)26)2-1-12-24-13-11-23-15-24/h1-2,4-6,8-11,13-15H,3,7,12H2,(H,25,26)/b2-1+