tert-butyl 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodanyl-imidazol-1-yl]methyl]phenyl]-2-cyclopentyl-ethanoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodanyl-imidazol-1-yl]methyl]phenyl]-2-cyclopentyl-ethanoate Openeye Name: tert-butyl 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodo-imidazol-1-yl]methyl]phenyl]-2-cyclopentyl-acetate CAS Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodo-1-imidazolyl]methyl]phenyl]-2-cyclopentylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-5-(hydroxymethyl)-4-iodoimidazol-1-yl]methyl]phenyl]-2-cyclopentylacetate Traditional Name: 2-[4-[(2-butyl-4-iodo-5-methylol-imidazol-1-yl)methyl]phenyl]-2-cyclopentyl-acetic acid tert-butyl ester Formula: C26H37IN2O3 MolecularWeight: 552.48805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C3CCCC3)C(=O)OC(C)(C)C)CO)I

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(C3CCCC3)C(=O)OC(C)(C)C)CO)I

InChI

InChI=1S/C26H37IN2O3/c1-5-6-11-22-28-24(27)21(17-30)29(22)16-18-12-14-20(15-13-18)23(19-9-7-8-10-19)25(31)32-26(2,3)4/h12-15,19,23,30H,5-11,16-17H2,1-4H3