(E)-3-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-phenyl]-2-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-phenyl]-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-phenyl]-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenyl]-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenyl]-2-phenylprop-2-enoic acid Traditional Name: (E)-3-(2-cyano-5-piperonyloxy-phenyl)-2-phenyl-acrylic acid Formula: C24H17NO5 MolecularWeight: 399.39548

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC3=CC(=C(C=C3)C#N)C=C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC3=CC(=C(C=C3)C#N)/C=C(\C4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C24H17NO5/c25-13-18-7-8-20(28-14-16-6-9-22-23(10-16)30-15-29-22)11-19(18)12-21(24(26)27)17-4-2-1-3-5-17/h1-12H,14-15H2,(H,26,27)/b21-12+