4-[[2-butyl-5-[(E)-2-carboxy-4-thiophen-2-yl-but-1-enyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(E)-2-carboxy-4-thiophen-2-yl-but-1-enyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(E)-2-carboxy-4-(2-thienyl)but-1-enyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(E)-2-carboxy-4-thiophen-2-ylbut-1-enyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(E)-2-carboxy-4-thiophen-2-ylbut-1-enyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(E)-2-carboxy-4-(2-thienyl)but-1-enyl]imidazol-1-yl]methyl]benzoic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CCC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CCC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-2-3-6-22-25-15-20(14-19(24(29)30)11-12-21-5-4-13-31-21)26(22)16-17-7-9-18(10-8-17)23(27)28/h4-5,7-10,13-15H,2-3,6,11-12,16H2,1H3,(H,27,28)(H,29,30)/b19-14+