4-[[2-butyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)-4-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)-4-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-(1-carboxyvinyl)-4-(2-thienylmethyl)imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-(3-hydroxy-3-oxoprop-1-en-2-yl)-4-(thiophen-2-ylmethyl)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-(3-hydroxy-3-oxoprop-1-en-2-yl)-4-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-(1-carboxyvinyl)-4-(2-thenyl)imidazol-1-yl]methyl]benzoic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)O)C(=C)C(=O)O)CC3=CC=CS3

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)O)C(=C)C(=O)O)CC3=CC=CS3

InChI

InChI=1S/C23H24N2O4S/c1-3-4-7-20-24-19(13-18-6-5-12-30-18)21(15(2)22(26)27)25(20)14-16-8-10-17(11-9-16)23(28)29/h5-6,8-12H,2-4,7,13-14H2,1H3,(H,26,27)(H,28,29)