methyl 2-[4-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]hexanoate

Systemtic Name: methyl 2-[4-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]hexanoate Openeye Name: methyl 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]hexanoate CAS Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)-1-imidazolyl]methyl]phenoxy]hexanoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]hexanoate Traditional Name: 2-[4-[(2-butyl-5-chloro-4-methylol-imidazol-1-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(N1CC2=CC=C(C=C2)OC(CCCC)C(=O)OC)Cl)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)OC(CCCC)C(=O)OC)Cl)CO

InChI

InChI=1S/C22H31ClN2O4/c1-4-6-8-19(22(27)28-3)29-17-12-10-16(11-13-17)14-25-20(9-7-5-2)24-18(15-26)21(25)23/h10-13,19,26H,4-9,14-15H2,1-3H3