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

Systemtic Name: methyl 2-[4-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoate Openeye Name: methyl 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoate CAS Name: 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)-4-imidazolyl]methyl]phenoxy]hexanoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoate Traditional Name: 2-[4-[(2-butyl-1-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)CO)CC2=CC=C(C=C2)OC(CCCC)C(=O)OC

Isomeric SMILES

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

InChI

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