(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-bromo-2-isobutoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-(5-bromo-2-isobutoxy-phenyl)-2-cyano-N-piperonyl-acrylamide Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H21BrN2O4/c1-14(2)12-27-19-6-4-18(23)9-16(19)8-17(10-24)22(26)25-11-15-3-5-20-21(7-15)29-13-28-20/h3-9,14H,11-13H2,1-2H3,(H,25,26)/b17-8+