3-[[2,3-bis(bromanyl)-1-(2-cyanophenyl)indol-4-yl]methyl]-2-butyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[2,3-bis(bromanyl)-1-(2-cyanophenyl)indol-4-yl]methyl]-2-butyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[2,3-dibromo-1-(2-cyanophenyl)indol-4-yl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[2,3-dibromo-1-(2-cyanophenyl)-4-indolyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[2,3-dibromo-1-(2-cyanophenyl)indol-4-yl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[[2,3-dibromo-1-(2-cyanophenyl)indol-4-yl]methyl]imidazole-4-carboxylic acid Formula: C24H20Br2N4O2 MolecularWeight: 556.2492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=C3C(=CC=C2)N(C(=C3Br)Br)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=C3C(=CC=C2)N(C(=C3Br)Br)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C24H20Br2N4O2/c1-2-3-11-20-28-13-19(24(31)32)29(20)14-16-8-6-10-18-21(16)22(25)23(26)30(18)17-9-5-4-7-15(17)12-27/h4-10,13H,2-3,11,14H2,1H3,(H,31,32)