2-[2-iodanyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]ethanoate

Systemtic Name: 2-[2-iodanyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]ethanoate Openeye Name: 2-[4-[2-(tert-butoxycarbonylamino)-3-oxo-3-(pentylamino)propyl]-2-iodo-phenoxy]acetate CAS Name: 2-[2-iodo-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]acetate IUPAC Name: 2-[2-iodo-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-(pentylamino)propyl]phenoxy]acetate Traditional Name: 2-[4-[3-(amylamino)-2-(tert-butoxycarbonylamino)-3-keto-propyl]-2-iodo-phenoxy]acetate Formula: C21H30IN2O6- MolecularWeight: 533.37717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)[O-])I)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)[O-])I)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31IN2O6/c1-5-6-7-10-23-19(27)16(24-20(28)30-21(2,3)4)12-14-8-9-17(15(22)11-14)29-13-18(25)26/h8-9,11,16H,5-7,10,12-13H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)/p-1