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

Systemtic Name: methyl 2-[4-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-4-(ethylthio)-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-4-ethylsulfanyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-4-(ethylthio)-5-methylol-imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c1-4-6-11-23-26-24(31-5-2)22(17-28)27(23)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(29)30-3/h7-10,12-15,28H,4-6,11,16-17H2,1-3H3