2-(1,3-benzodioxol-5-yl)-2-(4-ethanoyl-2-propyl-phenoxy)ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(4-ethanoyl-2-propyl-phenoxy)ethanoic acid Openeye Name: 2-(4-acetyl-2-propyl-phenoxy)-2-(1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-(4-acetyl-2-propylphenoxy)-2-(1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2-(4-acetyl-2-propylphenoxy)-2-(1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2-(4-acetyl-2-propyl-phenoxy)-2-(1,3-benzodioxol-5-yl)acetic acid Formula: C20H20O6 MolecularWeight: 356.3692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C)OC(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C20H20O6/c1-3-4-14-9-13(12(2)21)5-7-16(14)26-19(20(22)23)15-6-8-17-18(10-15)25-11-24-17/h5-10,19H,3-4,11H2,1-2H3,(H,22,23)