methyl 3-[4-[[2-butyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 3-[4-[[2-butyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 3-[4-[[2-butyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 3-[4-[[2-butyl-4-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-butyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 3-[4-[(2-butyl-4-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)OC)CO

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)OC)CO

InChI

InChI=1S/C23H26N2O3/c1-3-4-8-22-24-21(16-26)15-25(22)14-17-9-11-18(12-10-17)19-6-5-7-20(13-19)23(27)28-2/h5-7,9-13,15,26H,3-4,8,14,16H2,1-2H3