(E)-3-(5-bromanyl-2-butoxy-phenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-butoxy-phenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-butoxy-phenyl)-2-cyano-N-(o-tolyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-butoxyphenyl)-2-cyano-N-(2-methylphenyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-butoxyphenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-butoxy-phenyl)-2-cyano-N-(o-tolyl)acrylamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C21H21BrN2O2/c1-3-4-11-26-20-10-9-18(22)13-16(20)12-17(14-23)21(25)24-19-8-6-5-7-15(19)2/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)/b17-12+