3-[[3-bromanyl-2-(2-carboxyphenyl)indazol-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[3-bromanyl-2-(2-carboxyphenyl)indazol-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-carboxyphenyl)indazol-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-carboxyphenyl)-5-indazolyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-carboxyphenyl)indazol-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carboxyphenyl)indazol-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid Formula: C23H20BrClN4O4 MolecularWeight: 531.7863

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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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrClN4O4/c1-2-3-8-18-26-21(25)19(23(32)33)28(18)12-13-9-10-16-15(11-13)20(24)29(27-16)17-7-5-4-6-14(17)22(30)31/h4-7,9-11H,2-3,8,12H2,1H3,(H,30,31)(H,32,33)