3-[4-[(E)-3-(4-bromophenyl)-2-ethyl-but-2-enoxy]phenyl]-2-methyl-propanoic acid

Systemtic Name: 3-[4-[(E)-3-(4-bromophenyl)-2-ethyl-but-2-enoxy]phenyl]-2-methyl-propanoic acid Openeye Name: 3-[4-[(E)-3-(4-bromophenyl)-2-ethyl-but-2-enoxy]phenyl]-2-methyl-propanoic acid CAS Name: 3-[4-[(E)-3-(4-bromophenyl)-2-ethylbut-2-enoxy]phenyl]-2-methylpropanoic acid IUPAC Name: 3-[4-[(E)-3-(4-bromophenyl)-2-ethylbut-2-enoxy]phenyl]-2-methylpropanoic acid Traditional Name: 3-[4-[(E)-3-(4-bromophenyl)-2-ethyl-but-2-enoxy]phenyl]-2-methyl-propionic acid Formula: C22H25BrO3 MolecularWeight: 417.3361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C)C1=CC=C(C=C1)Br)COC2=CC=C(C=C2)CC(C)C(=O)O

Isomeric SMILES

CC/C(=C(/C)\C1=CC=C(C=C1)Br)/COC2=CC=C(C=C2)CC(C)C(=O)O

InChI

InChI=1S/C22H25BrO3/c1-4-18(16(3)19-7-9-20(23)10-8-19)14-26-21-11-5-17(6-12-21)13-15(2)22(24)25/h5-12,15H,4,13-14H2,1-3H3,(H,24,25)/b18-16+