3-[3-bromanyl-2-(2-carboxyphenyl)-1H-indol-5-yl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[3-bromanyl-2-(2-carboxyphenyl)-1H-indol-5-yl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 3-[3-bromo-2-(2-carboxyphenyl)-1H-indol-5-yl]-2-butyl-5-chloro-imidazole-4-carboxylic acid CAS Name: 3-[3-bromo-2-(2-carboxyphenyl)-1H-indol-5-yl]-2-butyl-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 3-[3-bromo-2-(2-carboxyphenyl)-1H-indol-5-yl]-2-butyl-5-chloroimidazole-4-carboxylic acid Traditional Name: 3-[3-bromo-2-(2-carboxyphenyl)-1H-indol-5-yl]-2-butyl-5-chloro-imidazole-4-carboxylic acid Formula: C23H19BrClN3O4 MolecularWeight: 516.77166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C2=CC3=C(C=C2)NC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1C2=CC3=C(C=C2)NC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C23H19BrClN3O4/c1-2-3-8-17-27-21(25)20(23(31)32)28(17)12-9-10-16-15(11-12)18(24)19(26-16)13-6-4-5-7-14(13)22(29)30/h4-7,9-11,26H,2-3,8H2,1H3,(H,29,30)(H,31,32)