2-butyl-5-chloranyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-5-chloranyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-chloro-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-chloro-3-[[1-(2-cyanophenyl)-4-indolyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-chloro-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-chloro-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazole-4-carboxylic acid Formula: C24H21ClN4O2 MolecularWeight: 432.90214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)C(=O)O)Cl

InChI

InChI=1S/C24H21ClN4O2/c1-2-3-11-21-27-23(25)22(24(30)31)29(21)15-17-8-6-10-20-18(17)12-13-28(20)19-9-5-4-7-16(19)14-26/h4-10,12-13H,2-3,11,15H2,1H3,(H,30,31)