2-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)-2-propyl-phenoxy]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)-2-propyl-phenoxy]acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)-2-propylphenoxy]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)-2-propylphenoxy]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)-2-propyl-phenoxy]acetic acid Formula: C20H22O6 MolecularWeight: 358.38508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O6/c1-2-3-14-10-13(8-9-21)4-6-16(14)26-19(20(22)23)15-5-7-17-18(11-15)25-12-24-17/h4-7,10-11,19,21H,2-3,8-9,12H2,1H3,(H,22,23)