2-[(E)-4-(2-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid

Systemtic Name: 2-[(E)-4-(2-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid Openeye Name: 2-[(E)-4-(2-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid CAS Name: 2-[(E)-4-(2-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid IUPAC Name: 2-[(E)-4-(2-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid Traditional Name: 2-[(E)-4-(2-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC=C(C2=CC=CC=C2C(=O)O)C3=CN=CN3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC/C=C(\C2=CC=CC=C2C(=O)O)/C3=CN=CN3)C(=O)O

InChI

InChI=1S/C21H18N2O4/c24-20(25)15-8-2-1-6-14(15)7-5-11-17(19-12-22-13-23-19)16-9-3-4-10-18(16)21(26)27/h1-4,6,8-13H,5,7H2,(H,22,23)(H,24,25)(H,26,27)/b17-11+