2-[3-bromanyl-5-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]indazol-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]indazol-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]indazol-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]-2-indazolyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]indazol-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]indazol-2-yl]benzoic acid Formula: C23H20BrClN4O3 MolecularWeight: 515.7869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(N(N=C3C=C2)C4=CC=CC=C4C(=O)O)Br)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(N(N=C3C=C2)C4=CC=CC=C4C(=O)O)Br)C=O)Cl

InChI

InChI=1S/C23H20BrClN4O3/c1-2-3-8-20-26-22(25)19(13-30)28(20)12-14-9-10-17-16(11-14)21(24)29(27-17)18-7-5-4-6-15(18)23(31)32/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,31,32)