(2-cyano-4-pentyl-phenyl) 3-chloranyl-4-hexoxy-benzoate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 3-chloranyl-4-hexoxy-benzoate Openeye Name: (2-cyano-4-pentyl-phenyl) 3-chloro-4-hexoxy-benzoate CAS Name: 3-chloro-4-hexoxybenzoic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 3-chloro-4-hexoxybenzoate Traditional Name: 3-chloro-4-hexoxy-benzoic acid (4-amyl-2-cyano-phenyl) ester Formula: C25H30ClNO3 MolecularWeight: 427.9636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCCC)C#N)Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCCCC)C#N)Cl

InChI

InChI=1S/C25H30ClNO3/c1-3-5-7-9-15-29-24-14-12-20(17-22(24)26)25(28)30-23-13-11-19(10-8-6-4-2)16-21(23)18-27/h11-14,16-17H,3-10,15H2,1-2H3