(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-butoxy-3-ethoxyphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-butoxy-3-ethoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-N-piperonyl-acrylamide Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3)OCC

InChI

InChI=1S/C24H26N2O5/c1-3-5-10-29-20-8-6-17(12-22(20)28-4-2)11-19(14-25)24(27)26-15-18-7-9-21-23(13-18)31-16-30-21/h6-9,11-13H,3-5,10,15-16H2,1-2H3,(H,26,27)/b19-11+