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

Systemtic Name: tert-butyl 2-[4-[[5-(acetyloxymethyl)-2-butyl-4-iodanyl-imidazol-1-yl]methyl]phenyl]-2-cyclopentyl-ethanoate Openeye Name: tert-butyl 2-[4-[[5-(acetoxymethyl)-2-butyl-4-iodo-imidazol-1-yl]methyl]phenyl]-2-cyclopentyl-acetate CAS Name: 2-[4-[[5-(acetyloxymethyl)-2-butyl-4-iodo-1-imidazolyl]methyl]phenyl]-2-cyclopentylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[5-(acetyloxymethyl)-2-butyl-4-iodoimidazol-1-yl]methyl]phenyl]-2-cyclopentylacetate Traditional Name: 2-[4-[[5-(acetoxymethyl)-2-butyl-4-iodo-imidazol-1-yl]methyl]phenyl]-2-cyclopentyl-acetic acid tert-butyl ester Formula: C28H39IN2O4 MolecularWeight: 594.52473

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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)COC(=O)C)I

Isomeric SMILES

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

InChI

InChI=1S/C28H39IN2O4/c1-6-7-12-24-30-26(29)23(18-34-19(2)32)31(24)17-20-13-15-22(16-14-20)25(21-10-8-9-11-21)27(33)35-28(3,4)5/h13-16,21,25H,6-12,17-18H2,1-5H3