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

Systemtic Name: methyl 2-[4-[[2-butyl-5-ethylsulfinyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-butyl-5-ethylsulfinyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-ethylsulfinyl-4-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-5-ethylsulfinyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-5-ethylsulfinyl-4-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4S/c1-4-6-11-23-26-22(17-28)24(32(30)5-2)27(23)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(29)31-3/h7-10,12-15,28H,4-6,11,16-17H2,1-3H3