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

Systemtic Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromanyl-2-oxidanyl-phenyl)-6-ethoxy-7-oxidanyl-hept-2-enamide Openeye Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-6-ethoxy-7-hydroxy-hept-2-enamide CAS Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-6-ethoxy-7-hydroxy-2-heptenamide IUPAC Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-6-ethoxy-7-hydroxyhept-2-enamide Traditional Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-6-ethoxy-7-hydroxy-hept-2-enamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4/c1-2-28-19(21(27)15-13-14(22)11-12-18(15)25)9-5-6-10-20(26)24-17-8-4-3-7-16(17)23/h3-4,6-8,10-13,19,21,25,27H,2,5,9,23H2,1H3,(H,24,26)/b10-6+/t19-,21-/m0/s1