(3-chlorophenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate

Systemtic Name: (3-chlorophenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate Openeye Name: (3-chlorophenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)propanoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3-(4-butoxy-3-ethoxyphenyl)propanoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)propionic acid (3-chlorophenyl) ester Formula: C21H25ClO4 MolecularWeight: 376.8738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=CC(=CC=C2)Cl)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=CC(=CC=C2)Cl)OCC

InChI

InChI=1S/C21H25ClO4/c1-3-5-13-25-19-11-9-16(14-20(19)24-4-2)10-12-21(23)26-18-8-6-7-17(22)15-18/h6-9,11,14-15H,3-5,10,12-13H2,1-2H3