3-[5-bromanyl-2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]propanoate

Systemtic Name: 3-[5-bromanyl-2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]propanoate Openeye Name: 3-[5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]propanoate CAS Name: 3-[5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]propanoate IUPAC Name: 3-[5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]propanoate Traditional Name: 3-[5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]propionate Formula: C19H20BrO4- MolecularWeight: 392.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)Br)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)Br)CCC(=O)[O-])C

InChI

InChI=1S/C19H21BrO4/c1-13-9-14(2)11-17(10-13)23-7-8-24-18-5-4-16(20)12-15(18)3-6-19(21)22/h4-5,9-12H,3,6-8H2,1-2H3,(H,21,22)/p-1