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

Systemtic Name: 4-[[2-butyl-5-[3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[3-hydroxy-3-oxo-2-(2-thienylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[3-hydroxy-3-keto-2-(2-thenyl)propyl]imidazol-1-yl]methyl]benzoic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-11,14,18H,2-3,6,12-13,15H2,1H3,(H,26,27)(H,28,29)