(E)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-isobutoxy-phenyl)-2-cyano-N-(2-ethylphenyl)prop-2-enamide CAS Name: (E)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-cyano-N-(2-ethylphenyl)-2-propenamide IUPAC Name: (E)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-isobutoxy-phenyl)-2-cyano-N-(2-ethylphenyl)acrylamide Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC(C)C)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC(C)C)/C#N

InChI

InChI=1S/C22H23BrN2O2/c1-4-16-7-5-6-8-20(16)25-22(26)18(13-24)11-17-12-19(23)9-10-21(17)27-14-15(2)3/h5-12,15H,4,14H2,1-3H3,(H,25,26)/b18-11+