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

Systemtic Name: 4-[[5-(3-azanyl-4-oxidanyl-4-oxidanylidene-3-thiophen-2-yl-butyl)-2-butyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[3-amino-4-hydroxy-4-oxo-3-(2-thienyl)butyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-(3-amino-4-hydroxy-4-oxo-3-thiophen-2-ylbutyl)-2-butyl-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(3-amino-4-hydroxy-4-oxo-3-thiophen-2-ylbutyl)-2-butylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[3-amino-4-hydroxy-4-keto-3-(2-thienyl)butyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CCC(C3=CC=CS3)(C(=O)O)N

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CCC(C3=CC=CS3)(C(=O)O)N

InChI

InChI=1S/C23H27N3O4S/c1-2-3-6-20-25-14-18(11-12-23(24,22(29)30)19-5-4-13-31-19)26(20)15-16-7-9-17(10-8-16)21(27)28/h4-5,7-10,13-14H,2-3,6,11-12,15,24H2,1H3,(H,27,28)(H,29,30)