(E)-3-(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-2-cyano-N-phenethyl-acrylamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NCCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H23BrN2O3/c1-15(2)28-21-19(23)12-17(13-20(21)27-3)11-18(14-24)22(26)25-10-9-16-7-5-4-6-8-16/h4-8,11-13,15H,9-10H2,1-3H3,(H,25,26)/b18-11+