(2-cyano-4-pentyl-phenyl) 3-bromanyl-4-pentoxy-benzoate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 3-bromanyl-4-pentoxy-benzoate Openeye Name: (2-cyano-4-pentyl-phenyl) 3-bromo-4-pentoxy-benzoate CAS Name: 3-bromo-4-pentoxybenzoic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 3-bromo-4-pentoxybenzoate Traditional Name: 4-amoxy-3-bromo-benzoic acid (4-amyl-2-cyano-phenyl) ester Formula: C24H28BrNO3 MolecularWeight: 458.38802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCCCCC)Br)C#N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCCCCC)Br)C#N

InChI

InChI=1S/C24H28BrNO3/c1-3-5-7-9-18-10-12-22(20(15-18)17-26)29-24(27)19-11-13-23(21(25)16-19)28-14-8-6-4-2/h10-13,15-16H,3-9,14H2,1-2H3