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

Systemtic Name: 3-[4-[(E)-3-(4-bromophenyl)-2-methyl-but-2-enoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[(E)-3-(4-bromophenyl)-2-methyl-but-2-enoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[(E)-3-(4-bromophenyl)-2-methylbut-2-enoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[(E)-3-(4-bromophenyl)-2-methylbut-2-enoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[(E)-3-(4-bromophenyl)-2-methyl-but-2-enoxy]phenyl]-2-ethoxy-propionic acid Formula: C22H25BrO4 MolecularWeight: 433.3355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCC(=C(C)C2=CC=C(C=C2)Br)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OC/C(=C(\C)/C2=CC=C(C=C2)Br)/C)C(=O)O

InChI

InChI=1S/C22H25BrO4/c1-4-26-21(22(24)25)13-17-5-11-20(12-6-17)27-14-15(2)16(3)18-7-9-19(23)10-8-18/h5-12,21H,4,13-14H2,1-3H3,(H,24,25)/b16-15+