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

Systemtic Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-methoxy-7-oxidanyl-hept-2-enamide Openeye Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-methoxy-hept-2-enamide CAS Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-methoxy-2-heptenamide IUPAC Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6-methoxyhept-2-enamide Traditional Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6-methoxy-hept-2-enamide Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCC=CC(=O)NC1=CC=CC=C1N)C(C2=C(C=CC(=C2)Br)O)O

Isomeric SMILES

CO[C@@H](CC/C=C/C(=O)NC1=CC=CC=C1N)[C@H](C2=C(C=CC(=C2)Br)O)O

InChI

InChI=1S/C20H23BrN2O4/c1-27-18(20(26)14-12-13(21)10-11-17(14)24)8-4-5-9-19(25)23-16-7-3-2-6-15(16)22/h2-3,5-7,9-12,18,20,24,26H,4,8,22H2,1H3,(H,23,25)/b9-5+/t18-,20-/m0/s1