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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22O6/c26-24(27)12-10-21(18-5-2-1-3-6-18)25(28)19-7-4-8-20(14-19)29-15-17-9-11-22-23(13-17)31-16-30-22/h1-9,11,13-14,21H,10,12,15-16H2,(H,26,27)