3-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)allyloxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)allyloxy]phenyl]-2-ethoxy-propionic acid Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCC=CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OC/C=C/C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C21H22O6/c1-2-24-20(21(22)23)13-16-5-8-17(9-6-16)25-11-3-4-15-7-10-18-19(12-15)27-14-26-18/h3-10,12,20H,2,11,13-14H2,1H3,(H,22,23)/b4-3+