[(1E,3S,4S,5E,7E)-1-iodanyl-3,5,8-trimethyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]nona-1,5,7-trien-4-yl] 2,2-dimethylpropanoate

Systemtic Name: [(1E,3S,4S,5E,7E)-1-iodanyl-3,5,8-trimethyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]nona-1,5,7-trien-4-yl] 2,2-dimethylpropanoate Openeye Name: [(1S,2E,4E)-6-(tert-butoxycarbonylamino)-1-[(E,1S)-3-iodo-1-methyl-allyl]-2,5-dimethyl-hexa-2,4-dienyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1E,3S,4S,5E,7E)-1-iodo-3,5,8-trimethyl-9-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]nona-1,5,7-trien-4-yl] ester IUPAC Name: [(1E,3S,4S,5E,7E)-1-iodo-3,5,8-trimethyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]nona-1,5,7-trien-4-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S,2E,4E)-6-(tert-butoxycarbonylamino)-1-[(E,1S)-3-iodo-1-methyl-allyl]-2,5-dimethyl-hexa-2,4-dienyl] ester Formula: C22H36INO4 MolecularWeight: 505.43001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CI)C(C(=CC=C(C)CNC(=O)OC(C)(C)C)C)OC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](/C=C/I)[C@@H](/C(=C/C=C(\C)/CNC(=O)OC(C)(C)C)/C)OC(=O)C(C)(C)C

InChI

InChI=1S/C22H36INO4/c1-15(14-24-20(26)28-22(7,8)9)10-11-16(2)18(17(3)12-13-23)27-19(25)21(4,5)6/h10-13,17-18H,14H2,1-9H3,(H,24,26)/b13-12+,15-10+,16-11+/t17-,18+/m0/s1