methyl 4-[[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methylol-1-p-anisyl-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=C(N=C2SCC3=CC=C(C=C3)C(=O)OC)CO

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=C(N=C2SCC3=CC=C(C=C3)C(=O)OC)CO

InChI

InChI=1S/C21H22N2O4S/c1-26-19-9-5-15(6-10-19)11-23-12-18(13-24)22-21(23)28-14-16-3-7-17(8-4-16)20(25)27-2/h3-10,12,24H,11,13-14H2,1-2H3