methyl 2-[5-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-[5-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]furan-2-yl]benzoate Openeye Name: methyl 2-[5-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]-2-furyl]benzoate CAS Name: 2-[5-[[2-butyl-5-chloro-4-(hydroxymethyl)-1-imidazolyl]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(2-butyl-5-chloro-4-methylol-imidazol-1-yl)methyl]-2-furyl]benzoic acid methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(O2)C3=CC=CC=C3C(=O)OC)Cl)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(O2)C3=CC=CC=C3C(=O)OC)Cl)CO

InChI

InChI=1S/C21H23ClN2O4/c1-3-4-9-19-23-17(13-25)20(22)24(19)12-14-10-11-18(28-14)15-7-5-6-8-16(15)21(26)27-2/h5-8,10-11,25H,3-4,9,12-13H2,1-2H3