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

Systemtic Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromanyl-2-oxidanyl-phenyl)-6,6-dimethyl-7-oxidanyl-hept-2-enamide Openeye Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6,6-dimethyl-hept-2-enamide CAS Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6,6-dimethyl-2-heptenamide IUPAC Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxyphenyl)-7-hydroxy-6,6-dimethylhept-2-enamide Traditional Name: (E,7S)-N-(2-aminophenyl)-7-(5-bromo-2-hydroxy-phenyl)-7-hydroxy-6,6-dimethyl-hept-2-enamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3/c1-21(2,20(27)15-13-14(22)10-11-18(15)25)12-6-5-9-19(26)24-17-8-4-3-7-16(17)23/h3-5,7-11,13,20,25,27H,6,12,23H2,1-2H3,(H,24,26)/b9-5+/t20-/m1/s1