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

Systemtic Name: tert-butyl 2-[4-[(2-butyl-4-iodanyl-5-methanoyl-imidazol-1-yl)methyl]phenyl]-2-cyclopentyl-ethanoate Openeye Name: tert-butyl 2-[4-[(2-butyl-5-formyl-4-iodo-imidazol-1-yl)methyl]phenyl]-2-cyclopentyl-acetate CAS Name: 2-[4-[(2-butyl-5-formyl-4-iodo-1-imidazolyl)methyl]phenyl]-2-cyclopentylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-butyl-5-formyl-4-iodoimidazol-1-yl)methyl]phenyl]-2-cyclopentylacetate Traditional Name: 2-[4-[(2-butyl-5-formyl-4-iodo-imidazol-1-yl)methyl]phenyl]-2-cyclopentyl-acetic acid tert-butyl ester Formula: C26H35IN2O3 MolecularWeight: 550.47217

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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)C=O)I

Isomeric SMILES

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

InChI

InChI=1S/C26H35IN2O3/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/h12-15,17,19,23H,5-11,16H2,1-4H3