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

Systemtic Name: 4-[[2-butyl-5-[3-methoxy-1-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[1-hydroxy-3-methoxy-3-oxo-2-(2-thienylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[1-hydroxy-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[1-hydroxy-3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[1-hydroxy-3-keto-3-methoxy-2-(2-thenyl)propyl]imidazol-1-yl]methyl]benzoic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-3-4-7-21-25-14-20(26(21)15-16-8-10-17(11-9-16)23(28)29)22(27)19(24(30)31-2)13-18-6-5-12-32-18/h5-6,8-12,14,19,22,27H,3-4,7,13,15H2,1-2H3,(H,28,29)