3-[3-bromanyl-4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[3-bromanyl-4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]propanoic acid Openeye Name: 3-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]propanoic acid CAS Name: 3-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]propanoic acid Traditional Name: 3-[3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]propionic acid Formula: C19H21BrO4 MolecularWeight: 393.27164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2)CCC(=O)O)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2)CCC(=O)O)Br)C

InChI

InChI=1S/C19H21BrO4/c1-13-3-6-16(11-14(13)2)23-9-10-24-18-7-4-15(12-17(18)20)5-8-19(21)22/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,21,22)