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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2-chloranyl-6-propyl-phenoxy]ethanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2-chloro-6-propyl-phenoxy]acetate CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2-chloro-6-propylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2-chloro-6-propylphenoxy]acetate Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(bromomethyl)-2-chloro-6-propyl-phenoxy]acetic acid methyl ester Formula: C20H20BrClO5 MolecularWeight: 455.7268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CBr)Cl)OC(C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CBr)Cl)OC(C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C20H20BrClO5/c1-3-4-13-7-12(10-21)8-15(22)18(13)27-19(20(23)24-2)14-5-6-16-17(9-14)26-11-25-16/h5-9,19H,3-4,10-11H2,1-2H3