(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-2-butenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-enamide Traditional Name: (E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)-N-piperonyl-but-2-enamide Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC

Isomeric SMILES

C/C(=C\C(=O)NCC1=CC2=C(C=C1)OCO2)/C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H23NO5/c1-17(10-27(29)28-14-18-8-9-23-26(11-18)33-16-32-23)20-12-21-22(19-6-4-3-5-7-19)15-31-25(21)13-24(20)30-2/h3-13,15H,14,16H2,1-2H3,(H,28,29)/b17-10+