dimethyl 2-[[(E,2S,6R)-3-iodanyl-2,6-dimethyl-7-phenylmethoxy-hept-3-enoyl]-methyl-amino]propanedioate

Systemtic Name: dimethyl 2-[[(E,2S,6R)-3-iodanyl-2,6-dimethyl-7-phenylmethoxy-hept-3-enoyl]-methyl-amino]propanedioate Openeye Name: dimethyl 2-[[(E,2S,6R)-7-benzyloxy-3-iodo-2,6-dimethyl-hept-3-enoyl]-methyl-amino]propanedioate CAS Name: 2-[[(E,2S,6R)-3-iodo-2,6-dimethyl-1-oxo-7-phenylmethoxyhept-3-enyl]-methylamino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(E,2S,6R)-3-iodo-2,6-dimethyl-7-phenylmethoxyhept-3-enoyl]-methylamino]propanedioate Traditional Name: 2-[[(E,2S,6R)-7-benzoxy-3-iodo-2,6-dimethyl-hept-3-enoyl]-methyl-amino]malonic acid dimethyl ester Formula: C22H30INO6 MolecularWeight: 531.38117

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C(C(C)C(=O)N(C)C(C(=O)OC)C(=O)OC)I)COCC1=CC=CC=C1

Isomeric SMILES

C[C@H](C/C=C(\[C@@H](C)C(=O)N(C)C(C(=O)OC)C(=O)OC)/I)COCC1=CC=CC=C1

InChI

InChI=1S/C22H30INO6/c1-15(13-30-14-17-9-7-6-8-10-17)11-12-18(23)16(2)20(25)24(3)19(21(26)28-4)22(27)29-5/h6-10,12,15-16,19H,11,13-14H2,1-5H3/b18-12+/t15-,16-/m1/s1