2-[4-[[2-butyl-4-chloranyl-5-(dimethylcarbamoyl)imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-4-chloranyl-5-(dimethylcarbamoyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-4-chloro-5-(dimethylcarbamoyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4-chloro-5-[dimethylamino(oxo)methyl]-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4-chloro-5-(dimethylcarbamoyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-4-chloro-5-(dimethylcarbamoyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-4-5-10-20-26-22(25)21(23(29)27(2)3)28(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)24(30)31/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,30,31)