2-butyl-5-chloranyl-3-[[4-(1-cyclopentyl-2-oxidanyl-2-oxidanylidene-ethyl)phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-5-chloranyl-3-[[4-(1-cyclopentyl-2-oxidanyl-2-oxidanylidene-ethyl)phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-chloro-3-[[4-(1-cyclopentyl-2-hydroxy-2-oxo-ethyl)phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-chloro-3-[[4-(1-cyclopentyl-2-hydroxy-2-oxoethyl)phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-chloro-3-[[4-(1-cyclopentyl-2-hydroxy-2-oxoethyl)phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-chloro-3-[4-(1-cyclopentyl-2-hydroxy-2-keto-ethyl)benzyl]imidazole-4-carboxylic acid Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C3CCCC3)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C3CCCC3)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-2-3-8-17-24-20(23)19(22(28)29)25(17)13-14-9-11-16(12-10-14)18(21(26)27)15-6-4-5-7-15/h9-12,15,18H,2-8,13H2,1H3,(H,26,27)(H,28,29)