2-[[4-[3-(2-butyl-4-chloranyl-1H-imidazol-5-yl)-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[3-(2-butyl-4-chloranyl-1H-imidazol-5-yl)-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-4-hydroxy-3-methyl-4-oxo-butyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-4-hydroxy-3-methyl-4-oxobutyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-4-hydroxy-3-methyl-4-oxobutyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[3-(2-butyl-4-chloro-1H-imidazol-5-yl)-4-hydroxy-4-keto-3-methyl-butyl]phenyl]carbamoyl]benzoic acid Formula: C26H28ClN3O5 MolecularWeight: 497.97062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)C(C)(CCC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1)C(C)(CCC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C26H28ClN3O5/c1-3-4-9-20-29-21(22(27)30-20)26(2,25(34)35)15-14-16-10-12-17(13-11-16)28-23(31)18-7-5-6-8-19(18)24(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)(H,34,35)