(E)-N-(2-bromanyl-4-methyl-phenyl)-3-(4-butoxyphenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(2-bromanyl-4-methyl-phenyl)-3-(4-butoxyphenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(2-bromo-4-methyl-phenyl)-3-(4-butoxyphenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(2-bromo-4-methyl-phenyl)-3-(4-butoxyphenyl)-2-cyano-acrylamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)C)Br

InChI

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