tert-butyl 2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate Openeye Name: tert-butyl 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]cyclohexanecarboxylate CAS Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate Traditional Name: 2-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]cyclohexanecarboxylic acid tert-butyl ester Formula: C26H37ClN2O3 MolecularWeight: 461.03658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3CCCCC3C(=O)OC(C)(C)C)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3CCCCC3C(=O)OC(C)(C)C)CO)Cl

InChI

InChI=1S/C26H37ClN2O3/c1-5-6-11-23-28-24(27)22(17-30)29(23)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(31)32-26(2,3)4/h12-15,20-21,30H,5-11,16-17H2,1-4H3