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

Systemtic Name: 2-[3-[3-(1,3-benzodioxol-5-yl)propyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[3-(1,3-benzodioxol-5-yl)propyl]phenoxy]acetic acid CAS Name: 2-[3-[3-(1,3-benzodioxol-5-yl)propyl]phenoxy]acetic acid IUPAC Name: 2-[3-[3-(1,3-benzodioxol-5-yl)propyl]phenoxy]acetic acid Traditional Name: 2-[3-[3-(1,3-benzodioxol-5-yl)propyl]phenoxy]acetic acid Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCCC3=CC(=CC=C3)OCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCCC3=CC(=CC=C3)OCC(=O)O

InChI

InChI=1S/C18H18O5/c19-18(20)11-21-15-6-2-5-13(9-15)3-1-4-14-7-8-16-17(10-14)23-12-22-16/h2,5-10H,1,3-4,11-12H2,(H,19,20)