methyl 3-[4-[[2-butyl-3-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoate

Systemtic Name: methyl 3-[4-[[2-butyl-3-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoate Openeye Name: methyl 3-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoate CAS Name: 3-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)-4-imidazolyl]methyl]phenoxy]hexanoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoate Traditional Name: 3-[4-[(2-butyl-3-chloro-5-methylol-imidazol-4-yl)methyl]phenoxy]hexanoic acid methyl ester Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)CC2=CC=C(C=C2)OC(CCC)CC(=O)OC)CO

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CC2=CC=C(C=C2)OC(CCC)CC(=O)OC)CO

InChI

InChI=1S/C22H31ClN2O4/c1-4-6-8-21-24-19(15-26)20(25(21)23)13-16-9-11-17(12-10-16)29-18(7-5-2)14-22(27)28-3/h9-12,18,26H,4-8,13-15H2,1-3H3