methyl 3-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 3-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 3-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 3-[4-[[2-butyl-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 3-[4-[(2-butyl-5-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=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)OC)CO

Isomeric SMILES

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

InChI

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