2-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-oxidanylidene-4-phenyl-pentanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-oxidanylidene-4-phenyl-pentanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-oxo-4-phenyl-pentanoic acid CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-oxo-4-phenylpentanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-oxo-4-phenylpentanoic acid Traditional Name: 5-keto-4-phenyl-2-(3-piperonyloxyphenyl)valeric acid Formula: C25H22O6 MolecularWeight: 418.43858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22O6/c26-14-20(18-5-2-1-3-6-18)13-22(25(27)28)19-7-4-8-21(12-19)29-15-17-9-10-23-24(11-17)31-16-30-23/h1-12,14,20,22H,13,15-16H2,(H,27,28)