(Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-4-(4-phenylmethoxyphenyl)but-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-4-(4-phenylmethoxyphenyl)but-2-enoic acid Openeye Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-benzyloxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4-(4-phenylmethoxyphenyl)-2-butenoic acid IUPAC Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4-(4-phenylmethoxyphenyl)but-2-enoic acid Traditional Name: (Z)-4-(4-benzoxyphenyl)-4-keto-2-piperonyl-but-2-enoic acid Formula: C25H20O6 MolecularWeight: 416.4227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=CC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C/C(=C/C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C25H20O6/c26-22(19-7-9-21(10-8-19)29-15-17-4-2-1-3-5-17)14-20(25(27)28)12-18-6-11-23-24(13-18)31-16-30-23/h1-11,13-14H,12,15-16H2,(H,27,28)/b20-14-