methyl 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2,6-dipropyl-phenoxy]ethanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2,6-dipropyl-phenoxy]ethanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2,6-dipropyl-phenoxy]acetate CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2,6-dipropylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2,6-dipropylphenoxy]acetate Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2,6-dipropyl-phenoxy]acetic acid methyl ester Formula: C23H27BrO5 MolecularWeight: 463.36148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C=C2)OCO3)C(=O)OC)CCC)CBr

Isomeric SMILES

CCCC1=CC(=CC(=C1OC(C2=CC3=C(C=C2)OCO3)C(=O)OC)CCC)CBr

InChI

InChI=1S/C23H27BrO5/c1-4-6-16-10-15(13-24)11-17(7-5-2)21(16)29-22(23(25)26-3)18-8-9-19-20(12-18)28-14-27-19/h8-12,22H,4-7,13-14H2,1-3H3