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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)C(=O)N(C)C)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)C(=O)N(C)C)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

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