(E,6R,7R)-N-(2-aminophenyl)-7-(5-bromanyl-2-oxidanyl-phenyl)-7-oxidanyl-6-phenoxy-hept-2-enamide

Systemtic Name: (E,6R,7R)-N-(2-aminophenyl)-7-(5-bromanyl-2-oxidanyl-phenyl)-7-oxidanyl-6-phenoxy-hept-2-enamide Openeye Name: (E,6R,7R)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-phenoxy-hept-2-enamide CAS Name: (E,6R,7R)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-phenoxy-2-heptenamide IUPAC Name: (E,6R,7R)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-phenoxyhept-2-enamide Traditional Name: (E,6R,7R)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-phenoxy-hept-2-enamide Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCC=CC(=O)NC2=CC=CC=C2N)C(C3=C(C=CC(=C3)Br)O)O

Isomeric SMILES

C1=CC=C(C=C1)O[C@H](CC/C=C/C(=O)NC2=CC=CC=C2N)[C@@H](C3=C(C=CC(=C3)Br)O)O

InChI

InChI=1S/C25H25BrN2O4/c26-17-14-15-22(29)19(16-17)25(31)23(32-18-8-2-1-3-9-18)12-6-7-13-24(30)28-21-11-5-4-10-20(21)27/h1-5,7-11,13-16,23,25,29,31H,6,12,27H2,(H,28,30)/b13-7+/t23-,25-/m1/s1