2-[4-[[2-butyl-3-chloranyl-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]furan-3-carboxylic acid

Systemtic Name: 2-[4-[[2-butyl-3-chloranyl-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]furan-3-carboxylic acid Openeye Name: 2-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]furan-3-carboxylic acid CAS Name: 2-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]-3-furancarboxylic acid IUPAC Name: 2-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]furan-3-carboxylic acid Traditional Name: 2-[4-[(2-butyl-3-chloro-5-methylol-4-imidazolin-1-yl)methyl]phenyl]-3-furoic acid Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1CC2=CC=C(C=C2)C3=C(C=CO3)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1N(C=C(N1CC2=CC=C(C=C2)C3=C(C=CO3)C(=O)O)CO)Cl

InChI

InChI=1S/C20H23ClN2O4/c1-2-3-4-18-22(16(13-24)12-23(18)21)11-14-5-7-15(8-6-14)19-17(20(25)26)9-10-27-19/h5-10,12,18,24H,2-4,11,13H2,1H3,(H,25,26)