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

Systemtic Name: methyl 4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-(hydroxymethyl)-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoate Traditional Name: 4-[(2-butyl-5-methylol-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-3-4-5-16-18-10-15(12-20)19(16)11-13-6-8-14(9-7-13)17(21)22-2/h6-10,20H,3-5,11-12H2,1-2H3