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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C4=CC=CC=C4C=C3C#N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C4=CC=CC=C4C=C3C#N)C(=O)O)Cl

InChI

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