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

Systemtic Name: methyl 4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoate Traditional Name: 4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O3/c1-3-4-5-15-19-16(18)14(11-21)20(15)10-12-6-8-13(9-7-12)17(22)23-2/h6-9,21H,3-5,10-11H2,1-2H3