(E,6R,7R)-7-(5-iodanyl-2-oxidanyl-phenyl)-6-methoxy-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,6R,7R)-7-(5-iodanyl-2-oxidanyl-phenyl)-6-methoxy-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,6R,7R)-7-(2-hydroxy-5-iodo-phenyl)-6-methoxy-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid CAS Name: (E,6R,7R)-7-(2-hydroxy-5-iodophenyl)-6-methoxy-7-[(1-naphthalenylamino)-oxomethoxy]-2-heptenoic acid IUPAC Name: (E,6R,7R)-7-(2-hydroxy-5-iodophenyl)-6-methoxy-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Traditional Name: (E,6R,7R)-7-(2-hydroxy-5-iodo-phenyl)-6-methoxy-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid Formula: C25H24INO6 MolecularWeight: 561.36563

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCC=CC(=O)O)C(C1=C(C=CC(=C1)I)O)OC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CO[C@H](CC/C=C/C(=O)O)[C@@H](C1=C(C=CC(=C1)I)O)OC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H24INO6/c1-32-22(11-4-5-12-23(29)30)24(19-15-17(26)13-14-21(19)28)33-25(31)27-20-10-6-8-16-7-2-3-9-18(16)20/h2-3,5-10,12-15,22,24,28H,4,11H2,1H3,(H,27,31)(H,29,30)/b12-5+/t22-,24-/m1/s1