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

Systemtic Name: 4-[(E)-4-(4-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid Openeye Name: 4-[(E)-4-(4-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid CAS Name: 4-[(E)-4-(4-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid IUPAC Name: 4-[(E)-4-(4-carboxyphenyl)-4-(1H-imidazol-5-yl)but-3-enyl]benzoic acid Traditional Name: 4-[(E)-4-(4-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(=CC=C1CCC=C(C2=CC=C(C=C2)C(=O)O)C3=CN=CN3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC/C=C(\C2=CC=C(C=C2)C(=O)O)/C3=CN=CN3)C(=O)O

InChI

InChI=1S/C21H18N2O4/c24-20(25)16-6-4-14(5-7-16)2-1-3-18(19-12-22-13-23-19)15-8-10-17(11-9-15)21(26)27/h3-13H,1-2H2,(H,22,23)(H,24,25)(H,26,27)/b18-3+