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

Systemtic Name: 4-[[2-butyl-5-[3-oxidanyl-3-oxidanylidene-2-(thiophen-3-ylmethyl)propyl]-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[3-hydroxy-3-oxo-2-(3-thienylmethyl)propyl]-1,2-dihydroimidazol-3-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[3-hydroxy-3-oxo-2-(3-thiophenylmethyl)propyl]-1,2-dihydroimidazol-3-yl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[3-hydroxy-3-oxo-2-(thiophen-3-ylmethyl)propyl]-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-4-[3-hydroxy-3-keto-2-(3-thenyl)propyl]-4-imidazolin-1-yl]methyl]benzoic acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC=C(C=C2)C(=O)O)CC(CC3=CSC=C3)C(=O)O

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC=C(C=C2)C(=O)O)CC(CC3=CSC=C3)C(=O)O

InChI

InChI=1S/C23H28N2O4S/c1-2-3-4-21-24-20(12-19(23(28)29)11-17-9-10-30-15-17)14-25(21)13-16-5-7-18(8-6-16)22(26)27/h5-10,14-15,19,21,24H,2-4,11-13H2,1H3,(H,26,27)(H,28,29)