(2-bromanyl-4-methyl-phenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate Openeye Name: (2-bromo-4-methyl-phenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)propanoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-(4-butoxy-3-ethoxyphenyl)propanoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)propionic acid (2-bromo-4-methyl-phenyl) ester Formula: C22H27BrO4 MolecularWeight: 435.35138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C)Br)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C)Br)OCC

InChI

InChI=1S/C22H27BrO4/c1-4-6-13-26-20-11-8-17(15-21(20)25-5-2)9-12-22(24)27-19-10-7-16(3)14-18(19)23/h7-8,10-11,14-15H,4-6,9,12-13H2,1-3H3