tert-butyl 2-[3-[3-(1,3-benzodioxol-5-yl)-1-oxidanyl-propyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[3-(1,3-benzodioxol-5-yl)-1-oxidanyl-propyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[3-(1,3-benzodioxol-5-yl)-1-hydroxy-propyl]phenoxy]acetate CAS Name: 2-[3-[3-(1,3-benzodioxol-5-yl)-1-hydroxypropyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[3-(1,3-benzodioxol-5-yl)-1-hydroxypropyl]phenoxy]acetate Traditional Name: 2-[3-[3-(1,3-benzodioxol-5-yl)-1-hydroxy-propyl]phenoxy]acetic acid tert-butyl ester Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=CC(=C1)C(CCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)C(CCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C22H26O6/c1-22(2,3)28-21(24)13-25-17-6-4-5-16(12-17)18(23)9-7-15-8-10-19-20(11-15)27-14-26-19/h4-6,8,10-12,18,23H,7,9,13-14H2,1-3H3