2-[[4-[[2-butyl-4-chloranyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[[2-butyl-4-chloranyl-5-(1-oxidanyl-1-oxidanylidene-propan-2-yl)imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[[2-butyl-4-chloro-5-(2-hydroxy-1-methyl-2-oxo-ethyl)imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-butyl-4-chloro-5-(1-hydroxy-1-oxopropan-2-yl)-1-imidazolyl]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[[2-butyl-4-chloro-5-(1-hydroxy-1-oxopropan-2-yl)imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-butyl-4-chloro-5-(2-hydroxy-2-keto-1-methyl-ethyl)imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid Formula: C25H26ClN3O5 MolecularWeight: 483.94404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C(C)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C(C)C(=O)O)Cl

InChI

InChI=1S/C25H26ClN3O5/c1-3-4-9-20-28-22(26)21(15(2)24(31)32)29(20)14-16-10-12-17(13-11-16)27-23(30)18-7-5-6-8-19(18)25(33)34/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,27,30)(H,31,32)(H,33,34)