(E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-benzyl-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-cyano-acrylamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)Br)O

InChI

InChI=1S/C21H21BrN2O2/c1-21(2,3)17-10-15(11-18(22)19(17)25)9-16(12-23)20(26)24-13-14-7-5-4-6-8-14/h4-11,25H,13H2,1-3H3,(H,24,26)/b16-9+