4-[[2-butyl-5-[2-[(1-oxidanyl-1-oxidanylidene-2-thiophen-2-yl-propan-2-yl)amino]ethyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[2-[(1-oxidanyl-1-oxidanylidene-2-thiophen-2-yl-propan-2-yl)amino]ethyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[2-[[2-hydroxy-1-methyl-2-oxo-1-(2-thienyl)ethyl]amino]ethyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[2-[(1-hydroxy-1-oxo-2-thiophen-2-ylpropan-2-yl)amino]ethyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[2-[(1-hydroxy-1-oxo-2-thiophen-2-ylpropan-2-yl)amino]ethyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[2-[[2-hydroxy-2-keto-1-methyl-1-(2-thienyl)ethyl]amino]ethyl]imidazol-1-yl]methyl]benzoic acid Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-3-4-7-21-25-15-19(27(21)16-17-8-10-18(11-9-17)22(28)29)12-13-26-24(2,23(30)31)20-6-5-14-32-20/h5-6,8-11,14-15,26H,3-4,7,12-13,16H2,1-2H3,(H,28,29)(H,30,31)