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

Systemtic Name: 2-[4-[(4-aminocarbonyl-2-butyl-5-chloranyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-carbamoyl-5-chloro-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-carbamoyl-5-chloro-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-carbamoyl-5-chloroimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-carbamoyl-5-chloro-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c1-2-3-8-18-25-19(21(24)27)20(23)26(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)22(28)29/h4-7,9-12H,2-3,8,13H2,1H3,(H2,24,27)(H,28,29)