7-[2-(bromomethyl)-3-methyl-butyl]-5-phenylmethoxy-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 7-[2-(bromomethyl)-3-methyl-butyl]-5-phenylmethoxy-2,3-dihydro-1,4-benzodioxine Openeye Name: 5-benzyloxy-7-[2-(bromomethyl)-3-methyl-butyl]-2,3-dihydro-1,4-benzodioxine CAS Name: 7-[2-(bromomethyl)-3-methylbutyl]-5-phenylmethoxy-2,3-dihydro-1,4-benzodioxin IUPAC Name: 7-[2-(bromomethyl)-3-methylbutyl]-5-phenylmethoxy-2,3-dihydro-1,4-benzodioxine Traditional Name: 5-benzoxy-7-[2-(bromomethyl)-3-methyl-butyl]-2,3-dihydro-1,4-benzodioxin Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=CC2=C(C(=C1)OCC3=CC=CC=C3)OCCO2)CBr

Isomeric SMILES

CC(C)C(CC1=CC2=C(C(=C1)OCC3=CC=CC=C3)OCCO2)CBr

InChI

InChI=1S/C21H25BrO3/c1-15(2)18(13-22)10-17-11-19-21(24-9-8-23-19)20(12-17)25-14-16-6-4-3-5-7-16/h3-7,11-12,15,18H,8-10,13-14H2,1-2H3