methyl 6-[(5-ethynyl-2-iodanyl-phenyl)carbonylamino]-2-[(2-methoxy-2-oxidanylidene-ethyl)-(2-methylperoxyethyl)amino]hexanoate

Systemtic Name: methyl 6-[(5-ethynyl-2-iodanyl-phenyl)carbonylamino]-2-[(2-methoxy-2-oxidanylidene-ethyl)-(2-methylperoxyethyl)amino]hexanoate Openeye Name: methyl 6-[(5-ethynyl-2-iodo-benzoyl)amino]-2-[(2-methoxy-2-oxo-ethyl)-(2-methylperoxyethyl)amino]hexanoate CAS Name: 6-[[(5-ethynyl-2-iodophenyl)-oxomethyl]amino]-2-[(2-methoxy-2-oxoethyl)-(2-methyldioxyethyl)amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-ethynyl-2-iodobenzoyl)amino]-2-[(2-methoxy-2-oxoethyl)-(2-methylperoxyethyl)amino]hexanoate Traditional Name: 6-[(5-ethynyl-2-iodo-benzoyl)amino]-2-[(2-keto-2-methoxy-ethyl)-(2-methylperoxyethyl)amino]hexanoic acid methyl ester Formula: C22H29IN2O7 MolecularWeight: 560.37933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CCOOC)C(CCCCNC(=O)C1=C(C=CC(=C1)C#C)I)C(=O)OC

Isomeric SMILES

COC(=O)CN(CCOOC)C(CCCCNC(=O)C1=C(C=CC(=C1)C#C)I)C(=O)OC

InChI

InChI=1S/C22H29IN2O7/c1-5-16-9-10-18(23)17(14-16)21(27)24-11-7-6-8-19(22(28)30-3)25(12-13-32-31-4)15-20(26)29-2/h1,9-10,14,19H,6-8,11-13,15H2,2-4H3,(H,24,27)