2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)butanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)butanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)butanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3,3-bis(4-methoxyphenyl)butanoic acid Traditional Name: 3,3-bis(4-methoxyphenyl)-2-piperonyl-butyric acid Formula: C26H26O6 MolecularWeight: 434.48104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C(CC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C(CC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C26H26O6/c1-26(18-5-9-20(29-2)10-6-18,19-7-11-21(30-3)12-8-19)22(25(27)28)14-17-4-13-23-24(15-17)32-16-31-23/h4-13,15,22H,14,16H2,1-3H3,(H,27,28)