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

Systemtic Name: methyl 2-[bis(2-methoxy-2-oxidanylidene-ethyl)amino]-6-[(5-ethynyl-2-iodanyl-phenyl)carbonylamino]hexanoate Openeye Name: methyl 2-[bis(2-methoxy-2-oxo-ethyl)amino]-6-[(5-ethynyl-2-iodo-benzoyl)amino]hexanoate CAS Name: 2-[bis(2-methoxy-2-oxoethyl)amino]-6-[[(5-ethynyl-2-iodophenyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[bis(2-methoxy-2-oxoethyl)amino]-6-[(5-ethynyl-2-iodobenzoyl)amino]hexanoate Traditional Name: 2-[bis(2-keto-2-methoxy-ethyl)amino]-6-[(5-ethynyl-2-iodo-benzoyl)amino]hexanoic acid methyl ester Formula: C22H27IN2O7 MolecularWeight: 558.36345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27IN2O7/c1-5-15-9-10-17(23)16(12-15)21(28)24-11-7-6-8-18(22(29)32-4)25(13-19(26)30-2)14-20(27)31-3/h1,9-10,12,18H,6-8,11,13-14H2,2-4H3,(H,24,28)