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

Systemtic Name: methyl 2-[4-[[2-butyl-4-(hydroxymethyl)-5-phenylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-butyl-4-(hydroxymethyl)-5-phenylsulfanyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-(hydroxymethyl)-5-(phenylthio)-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-4-(hydroxymethyl)-5-phenylsulfanylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-4-methylol-5-(phenylthio)imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C29H30N2O3S MolecularWeight: 486.6251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)SC4=CC=CC=C4)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)SC4=CC=CC=C4)CO

InChI

InChI=1S/C29H30N2O3S/c1-3-4-14-27-30-26(20-32)28(35-23-10-6-5-7-11-23)31(27)19-21-15-17-22(18-16-21)24-12-8-9-13-25(24)29(33)34-2/h5-13,15-18,32H,3-4,14,19-20H2,1-2H3