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

Systemtic Name: 3-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]furan-2-carboxylic acid Openeye Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]furan-2-carboxylic acid CAS Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-2-furancarboxylic acid IUPAC Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]furan-2-carboxylic acid Traditional Name: 3-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]-2-furoic acid Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(OC=C3)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(OC=C3)C(=O)O)CO)Cl

InChI

InChI=1S/C20H21ClN2O4/c1-2-3-4-17-22-19(21)16(12-24)23(17)11-13-5-7-14(8-6-13)15-9-10-27-18(15)20(25)26/h5-10,24H,2-4,11-12H2,1H3,(H,25,26)